N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide

C16H14ClN5O — CID 56762738

IUPACN-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN5O/c1-11-19-20-21-22(11)15-4-2-3-13(9-15)16(23)18-10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXYMHNPOSEKYSIP-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.55
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide

N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide (PubChem CID 56762738) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
PubChem CID56762738
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN5O/c1-11-19-20-21-22(11)15-4-2-3-13(9-15)16(23)18-10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXYMHNPOSEKYSIP-UHFFFAOYSA-N
XLogP2.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 92614116
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 95391453
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
CID 46974468
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 96558182
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858337
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55679296
[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741409
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide (CID 56762738) is N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is XYMHNPOSEKYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11-19-20-21-22(11)15-4-2-3-13(9-15)16(23)18-10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide?
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 327.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 56762738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).