N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide

C19H20ClN5O — CID 92614116

IUPACN-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(C(=O)N[C@@H](C)CCc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN5O/c1-13(10-11-15-6-3-4-9-18(15)20)21-19(26)16-7-5-8-17(12-16)25-14(2)22-23-24-25/h3-9,12-13H,10-11H2,1-2H3,(H,21,26)/t13-/m0/s1
InChIKeyNGPOHQJSDIFIDV-ZDUSSCGKSA-N
MW369.86 g/mol
LogP3.38
Rot. Bonds6

About N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide

N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide (PubChem CID 92614116) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
PubChem CID92614116
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(C(=O)N[C@@H](C)CCc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN5O/c1-13(10-11-15-6-3-4-9-18(15)20)21-19(26)16-7-5-8-17(12-16)25-14(2)22-23-24-25/h3-9,12-13H,10-11H2,1-2H3,(H,21,26)/t13-/m0/s1
InChIKeyNGPOHQJSDIFIDV-ZDUSSCGKSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide 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-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 95391453
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
CID 56762738
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
CID 99946998
2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 95390659
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
CID 74232043
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide (CID 92614116) is N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1cccc(C(=O)N[C@@H](C)CCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is NGPOHQJSDIFIDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13(10-11-15-6-3-4-9-18(15)20)21-19(26)16-7-5-8-17(12-16)25-14(2)22-23-24-25/h3-9,12-13H,10-11H2,1-2H3,(H,21,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide?
N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 369.86 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 92614116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).