2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide

C17H16ClN3O4 — CID 8750879

IUPAC2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H16ClN3O4/c1-2-9-19-16(22)13-5-3-4-6-15(13)20-17(23)12-8-7-11(21(24)25)10-14(12)18/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyKCKAUBWSFQDKRQ-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.64
Rot. Bonds6

About 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide

2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide (PubChem CID 8750879) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
PubChem CID8750879
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H16ClN3O4/c1-2-9-19-16(22)13-5-3-4-6-15(13)20-17(23)12-8-7-11(21(24)25)10-14(12)18/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyKCKAUBWSFQDKRQ-UHFFFAOYSA-N
XLogP3.64
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.64
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

2-chloro-N-[2-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-4-nitrobenzamide
CID 26549686
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-N-[2-[3-(N-methylanilino)propylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239514
2-chloro-4-nitro-N-[2-(3-phenylprop-2-ynylcarbamoyl)phenyl]benzamide
CID 24675881
2-chloro-4-nitro-N-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]benzamide
CID 36769210
2-chloro-N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239537
2-chloro-N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-4-nitrobenzamide
CID 30898786
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
2-chloro-4-nitro-N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]benzamide
CID 55972675
3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
(4-methylphenyl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 18291785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide (CID 8750879) is 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is KCKAUBWSFQDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-2-9-19-16(22)13-5-3-4-6-15(13)20-17(23)12-8-7-11(21(24)25)10-14(12)18/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 361.79 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 8750879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).