2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide

C21H16ClN3O5 — CID 1326900

IUPAC2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C21H16ClN3O5/c22-19-7-2-1-6-18(19)21(27)24-15-5-3-4-14(12-15)23-20(26)13-30-17-10-8-16(9-11-17)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)
InChIKeyUCYJDSVFFKIMLH-UHFFFAOYSA-N
MW425.83 g/mol
LogP4.52
Rot. Bonds7

About 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide

2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1326900) has the molecular formula C21H16ClN3O5 and a molecular weight of 425.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1326900
Molecular FormulaC21H16ClN3O5
Molecular Weight425.83 g/mol
Exact Mass425.08
IUPAC Name2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C21H16ClN3O5/c22-19-7-2-1-6-18(19)21(27)24-15-5-3-4-14(12-15)23-20(26)13-30-17-10-8-16(9-11-17)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)
InChIKeyUCYJDSVFFKIMLH-UHFFFAOYSA-N
XLogP4.52
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.83
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1313904
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide (CID 1326900) is 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is UCYJDSVFFKIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O5/c22-19-7-2-1-6-18(19)21(27)24-15-5-3-4-14(12-15)23-20(26)13-30-17-10-8-16(9-11-17)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27).
What are the key properties of 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 425.83 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1326900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).