4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide

C14H10Cl2N2O3 — CID 102504215

IUPAC4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H10Cl2N2O3/c1-8-2-4-10(15)12(6-8)17-14(19)9-3-5-11(16)13(7-9)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyFOSJDVLSSWCWQX-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide

4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide (PubChem CID 102504215) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
PubChem CID102504215
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H10Cl2N2O3/c1-8-2-4-10(15)12(6-8)17-14(19)9-3-5-11(16)13(7-9)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyFOSJDVLSSWCWQX-UHFFFAOYSA-N
XLogP4.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
4-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 2286305
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
methyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-methylbenzoate
CID 1122289
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
4-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3382868
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide (CID 102504215) is 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide?
The InChIKey is FOSJDVLSSWCWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-2-4-10(15)12(6-8)17-14(19)9-3-5-11(16)13(7-9)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide?
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 102504215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).