N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide

C16H14ClN5O — CID 23541012

IUPACN-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O/c1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2/h3-9H,1-2H3,(H,18,23)
InChIKeyUBUVTWKCKSZPHH-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.09
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide

N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide (PubChem CID 23541012) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide
PubChem CID23541012
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O/c1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2/h3-9H,1-2H3,(H,18,23)
InChIKeyUBUVTWKCKSZPHH-UHFFFAOYSA-N
XLogP3.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-methylsulfinylbenzamide
CID 51191587
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzamide
CID 23541046
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide (CID 23541012) is N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nnnn3C)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is UBUVTWKCKSZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-10-3-8-14(13(17)9-10)18-16(23)12-6-4-11(5-7-12)15-19-20-21-22(15)2/h3-9H,1-2H3,(H,18,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide?
N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 327.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 23541012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).