4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide

C21H16ClN3O4 — CID 31969807

IUPAC4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O4/c22-16-11-9-14(10-12-16)21(27)24-18-7-3-2-6-17(18)23-20(26)13-15-5-1-4-8-19(15)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)
InChIKeyZXXWZUBIMIODKI-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.68
Rot. Bonds6

About 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide

4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide (PubChem CID 31969807) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
PubChem CID31969807
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Name4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O4/c22-16-11-9-14(10-12-16)21(27)24-18-7-3-2-6-17(18)23-20(26)13-15-5-1-4-8-19(15)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)
InChIKeyZXXWZUBIMIODKI-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-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
N-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)acetamide
CID 62909951
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 3388381
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
3-chloro-N-[2-(hydroxymethyl)phenyl]-4-nitrobenzamide
CID 82778769
(4-chlorophenyl)methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7104104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide (CID 31969807) is 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide?
The InChIKey is ZXXWZUBIMIODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-16-11-9-14(10-12-16)21(27)24-18-7-3-2-6-17(18)23-20(26)13-15-5-1-4-8-19(15)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27).
What are the key properties of 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide?
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]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 4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 31969807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).