2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide

C10H10ClN5O — CID 110870969

IUPAC2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
SMILESCn1nnnc1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClN5O/c1-16-9(13-14-15-16)6-12-10(17)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,17)
InChIKeyCAUXCDPNCKPPRG-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.79
Rot. Bonds3

About 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide

2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide (PubChem CID 110870969) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
PubChem CID110870969
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
SMILESCn1nnnc1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClN5O/c1-16-9(13-14-15-16)6-12-10(17)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,17)
InChIKeyCAUXCDPNCKPPRG-UHFFFAOYSA-N
XLogP0.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-chloro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 838612
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide
CID 129433441
(1-propyltetrazol-5-yl)methyl (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 39968413
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
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2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
CID 16799154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide (CID 110870969) is 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide is Cn1nnnc1CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide?
The InChIKey is CAUXCDPNCKPPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-16-9(13-14-15-16)6-12-10(17)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide?
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide has a molecular weight of 251.68 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110870969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).