N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide

C21H16ClN3O4 — CID 17119387

IUPACN-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H16ClN3O4/c22-18-11-10-17(13-19(18)25(28)29)24-21(27)15-6-8-16(9-7-15)23-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,26)(H,24,27)
InChIKeyYGQIUFGZXBSDKW-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.68
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide

N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 17119387) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID17119387
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC NameN-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H16ClN3O4/c22-18-11-10-17(13-19(18)25(28)29)24-21(27)15-6-8-16(9-7-15)23-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,26)(H,24,27)
InChIKeyYGQIUFGZXBSDKW-UHFFFAOYSA-N
XLogP4.68
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.68
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

N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
4-chloro-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 60630033
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide (CID 17119387) is N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is YGQIUFGZXBSDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-18-11-10-17(13-19(18)25(28)29)24-21(27)15-6-8-16(9-7-15)23-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,26)(H,24,27).
What are the key properties of N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide?
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 409.83 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 17119387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).