2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide

C14H11ClN2O4 — CID 3101364

IUPAC2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-21-9-6-7-12(13(8-9)17(19)20)16-14(18)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,16,18)
InChIKeyQPNDLOIYBOPUMR-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide

2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide (PubChem CID 3101364) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
PubChem CID3101364
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-21-9-6-7-12(13(8-9)17(19)20)16-14(18)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,16,18)
InChIKeyQPNDLOIYBOPUMR-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

2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
CID 7267049
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223356
N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
CID 10064754
[2-(2-chloroanilino)-2-oxoethyl]-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037777
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide (CID 3101364) is 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide is COc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
The InChIKey is QPNDLOIYBOPUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-9-6-7-12(13(8-9)17(19)20)16-14(18)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide 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 2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 3101364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).