N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide

C20H14ClN3O4 — CID 4620848

IUPACN-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14ClN3O4/c21-17-10-9-15(12-18(17)23-19(25)13-5-2-1-3-6-13)22-20(26)14-7-4-8-16(11-14)24(27)28/h1-12H,(H,22,26)(H,23,25)
InChIKeyDQJJMVFEXIOLCK-UHFFFAOYSA-N
MW395.80 g/mol
LogP4.75
Rot. Bonds5

About N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide

N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide (PubChem CID 4620848) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
PubChem CID4620848
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC NameN-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14ClN3O4/c21-17-10-9-15(12-18(17)23-19(25)13-5-2-1-3-6-13)22-20(26)14-7-4-8-16(11-14)24(27)28/h1-12H,(H,22,26)(H,23,25)
InChIKeyDQJJMVFEXIOLCK-UHFFFAOYSA-N
XLogP4.75
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.75
H-Bond Donors ≤ 52
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

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CID 64786524
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
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3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
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N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
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N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
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CID 784701
N-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21171090

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide (CID 4620848) is N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide is O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide?
The InChIKey is DQJJMVFEXIOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-17-10-9-15(12-18(17)23-19(25)13-5-2-1-3-6-13)22-20(26)14-7-4-8-16(11-14)24(27)28/h1-12H,(H,22,26)(H,23,25).
What are the key properties of N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide?
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide has a molecular weight of 395.80 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 4620848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).