N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole

C49H47ClN14O3 — CID 161384103

IUPACN-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole
SMILESCCC(Oc1ccc(-c2nnnn2C)cc1)c1ccccc1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)cc1
InChIInChI=1S/C17H18N4O.C16H14ClN5O.C16H15N5O/c1-3-16(13-7-5-4-6-8-13)22-15-11-9-14(10-12-15)17-18-19-20-21(17)2;1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2;1-11-3-9-14(10-4-11)17-16(22)13-7-5-12(6-8-13)15-18-19-20-21(15)2/h4-12,16H,3H2,1-2H3;3-9H,1-2H3,(H,18,23);3-10H,1-2H3,(H,17,22)
InChIKeyVSCKFTDCOBOOKB-UHFFFAOYSA-N
MW915.46 g/mol
LogP8.94
Rot. Bonds11

About N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole

N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole (PubChem CID 161384103) has the molecular formula C49H47ClN14O3 and a molecular weight of 915.46 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole
PubChem CID161384103
Molecular FormulaC49H47ClN14O3
Molecular Weight915.46 g/mol
Exact Mass914.36
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole
SMILESCCC(Oc1ccc(-c2nnnn2C)cc1)c1ccccc1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)cc1
InChIInChI=1S/C17H18N4O.C16H14ClN5O.C16H15N5O/c1-3-16(13-7-5-4-6-8-13)22-15-11-9-14(10-12-15)17-18-19-20-21(17)2;1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2;1-11-3-9-14(10-4-11)17-16(22)13-7-5-12(6-8-13)15-18-19-20-21(15)2/h4-12,16H,3H2,1-2H3;3-9H,1-2H3,(H,18,23);3-10H,1-2H3,(H,17,22)
InChIKeyVSCKFTDCOBOOKB-UHFFFAOYSA-N
XLogP8.94
TPSA198.23 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.46
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-(4-phenylmethoxyphenyl)tetrazole;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole;1-[4-(1-methyltetrazol-5-yl)phenyl]-3-phenylurea
CID 159511188
N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide
CID 23541012
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole (CID 161384103) is N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole is CCC(Oc1ccc(-c2nnnn2C)cc1)c1ccccc1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1.Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole?
The InChIKey is VSCKFTDCOBOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C16H14ClN5O.C16H15N5O/c1-3-16(13-7-5-4-6-8-13)22-15-11-9-14(10-12-15)17-18-19-20-21(17)2;1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2;1-11-3-9-14(10-4-11)17-16(22)13-7-5-12(6-8-13)15-18-19-20-21(15)2/h4-12,16H,3H2,1-2H3;3-9H,1-2H3,(H,18,23);3-10H,1-2H3,(H,17,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole?
N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole has a molecular weight of 915.46 g/mol, XLogP of 8.94, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;N-(4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide;1-methyl-5-[4-(1-phenylpropoxy)phenyl]tetrazole is sourced from PubChem (CID 161384103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).