N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide

C16H14ClN5O — CID 78768535

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H14ClN5O/c1-21(10-12-6-2-4-8-14(12)17)16(23)13-7-3-5-9-15(13)22-11-18-19-20-22/h2-9,11H,10H2,1H3
InChIKeyYZJCONMCAQKKEB-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.59
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide (PubChem CID 78768535) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
PubChem CID78768535
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H14ClN5O/c1-21(10-12-6-2-4-8-14(12)17)16(23)13-7-3-5-9-15(13)22-11-18-19-20-22/h2-9,11H,10H2,1H3
InChIKeyYZJCONMCAQKKEB-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

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Related Compounds

2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 34700977
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 55775549
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813721
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134012748
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 55400799

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide (CID 78768535) is N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide is CN(Cc1ccccc1Cl)C(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
The InChIKey is YZJCONMCAQKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-21(10-12-6-2-4-8-14(12)17)16(23)13-7-3-5-9-15(13)22-11-18-19-20-22/h2-9,11H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-(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-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 78768535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).