4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

C23H20ClN3O4 — CID 4930557

IUPAC4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H20ClN3O4/c1-26(23(29)17-11-12-19(24)21(15-17)27(30)31)20-10-6-5-9-18(20)22(28)25-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyYDFXLBJKAQLCFT-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.50
Rot. Bonds7

About 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 4930557) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID4930557
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H20ClN3O4/c1-26(23(29)17-11-12-19(24)21(15-17)27(30)31)20-10-6-5-9-18(20)22(28)25-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,25,28)
InChIKeyYDFXLBJKAQLCFT-UHFFFAOYSA-N
XLogP4.50
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.50
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

N-[2-(benzylcarbamoyl)phenyl]-4-chloro-N-methyl-3-nitrobenzamide
CID 4930847
N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-4-chloro-3-nitrobenzamide
CID 4930929
4-chloro-3-nitro-N-(4-phenylbutan-2-yl)benzamide
CID 3377571
N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 4783520
4-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-3-nitrobenzamide
CID 16889873
2,4-dichloro-N-[methyl-[2-(2-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 4930697
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4930550
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-nitrobenzamide
CID 16889287
2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 4981732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (CID 4930557) is 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is YDFXLBJKAQLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-26(23(29)17-11-12-19(24)21(15-17)27(30)31)20-10-6-5-9-18(20)22(28)25-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,25,28).
What are the key properties of 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 437.88 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 4930557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).