N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide

C14H10ClN5O — CID 779648

IUPACN-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H10ClN5O/c15-11-2-1-3-12(8-11)17-14(21)10-4-6-13(7-5-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyHJAWALXDDAGMDY-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide

N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 779648) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
PubChem CID779648
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC NameN-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H10ClN5O/c15-11-2-1-3-12(8-11)17-14(21)10-4-6-13(7-5-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyHJAWALXDDAGMDY-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-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-bromophenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 856148
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]benzamide
CID 25166807
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
CID 703014
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide (CID 779648) is N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is HJAWALXDDAGMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-2-1-3-12(8-11)17-14(21)10-4-6-13(7-5-10)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide?
N-(3-chlorophenyl)-4-(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 N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 779648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).