N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide

C14H11ClN2O4 — CID 17440781

IUPACN-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-21-11-7-9(6-10(8-11)17(19)20)14(18)16-13-5-3-2-4-12(13)15/h2-8H,1H3,(H,16,18)
InChIKeyABGSUNPUKMONBU-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds4

About N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide

N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide (PubChem CID 17440781) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
PubChem CID17440781
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC NameN-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-21-11-7-9(6-10(8-11)17(19)20)14(18)16-13-5-3-2-4-12(13)15/h2-8H,1H3,(H,16,18)
InChIKeyABGSUNPUKMONBU-UHFFFAOYSA-N
XLogP3.51
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 3-[(2-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 690578
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
chloro 3-methoxy-5-nitrobenzoate
CID 140756231
5-nitro-1-N,3-N-bis(2,4,5-trichlorophenyl)benzene-1,3-dicarboxamide
CID 3379159
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
CID 4878023
methyl 3-nitro-5-[(2-phenylphenyl)carbamoyl]benzoate
CID 26727539
N-(2-bromo-3-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide?
The IUPAC name of N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide (CID 17440781) is N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide is COc1cc(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide?
The InChIKey is ABGSUNPUKMONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-11-7-9(6-10(8-11)17(19)20)14(18)16-13-5-3-2-4-12(13)15/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide?
N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide is sourced from PubChem (CID 17440781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).