4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide

C14H10ClN5O — CID 42571537

IUPAC4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C14H10ClN5O/c15-10-6-7-12(13(8-10)20-9-16-18-19-20)14(21)17-11-4-2-1-3-5-11/h1-9H,(H,17,21)
InChIKeyREXRVQDHNFQEKF-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide

4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide (PubChem CID 42571537) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
PubChem CID42571537
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C14H10ClN5O/c15-10-6-7-12(13(8-10)20-9-16-18-19-20)14(21)17-11-4-2-1-3-5-11/h1-9H,(H,17,21)
InChIKeyREXRVQDHNFQEKF-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 55673413
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide (CID 42571537) is 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide is O=C(Nc1ccccc1)c1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide?
The InChIKey is REXRVQDHNFQEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-10-6-7-12(13(8-10)20-9-16-18-19-20)14(21)17-11-4-2-1-3-5-11/h1-9H,(H,17,21).
What are the key properties of 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide?
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42571537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).