N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

C15H10ClN5O3 — CID 3818974

IUPACN-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClN5O3/c16-11-2-1-3-12(7-11)19-15(22)10-4-5-13(14(6-10)21(23)24)20-9-17-8-18-20/h1-9H,(H,19,22)
InChIKeyANOHOYYOKGZTHB-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 3818974) has the molecular formula C15H10ClN5O3 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID3818974
Molecular FormulaC15H10ClN5O3
Molecular Weight343.73 g/mol
Exact Mass343.05
IUPAC NameN-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClN5O3/c16-11-2-1-3-12(7-11)19-15(22)10-4-5-13(14(6-10)21(23)24)20-9-17-8-18-20/h1-9H,(H,19,22)
InChIKeyANOHOYYOKGZTHB-UHFFFAOYSA-N
XLogP3.08
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687403
N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687410
[4-(3-Chlorophenyl)piperazin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24816819
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24818004
N-(4-acetylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24818094
N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24979122
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24979155
N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 24979161

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide (CID 3818974) is N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is ANOHOYYOKGZTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O3/c16-11-2-1-3-12(7-11)19-15(22)10-4-5-13(14(6-10)21(23)24)20-9-17-8-18-20/h1-9H,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 343.73 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 3818974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).