N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide

C16H14ClN5O — CID 43010400

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O/c1-21(10-12-4-2-6-14(17)8-12)16(23)13-5-3-7-15(9-13)22-11-18-19-20-22/h2-9,11H,10H2,1H3
InChIKeyLTBORVAOKWEVHK-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.59
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide

N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide (PubChem CID 43010400) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
PubChem CID43010400
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O/c1-21(10-12-4-2-6-14(17)8-12)16(23)13-5-3-7-15(9-13)22-11-18-19-20-22/h2-9,11H,10H2,1H3
InChIKeyLTBORVAOKWEVHK-UHFFFAOYSA-N
XLogP2.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-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-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705756
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide (CID 43010400) is N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide is CN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is LTBORVAOKWEVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-21(10-12-4-2-6-14(17)8-12)16(23)13-5-3-7-15(9-13)22-11-18-19-20-22/h2-9,11H,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 327.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 43010400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).