2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide

C20H21ClN4O4 — CID 18283322

IUPAC2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C20H21ClN4O4/c21-16-10-9-14(11-18(16)25(28)29)22-12-19(26)24-17-8-4-3-7-15(17)20(27)23-13-5-1-2-6-13/h3-4,7-11,13,22H,1-2,5-6,12H2,(H,23,27)(H,24,26)
InChIKeyRFJPDERGWKWWJQ-UHFFFAOYSA-N
MW416.87 g/mol
LogP3.97
Rot. Bonds7

About 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide

2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 18283322) has the molecular formula C20H21ClN4O4 and a molecular weight of 416.87 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide
PubChem CID18283322
Molecular FormulaC20H21ClN4O4
Molecular Weight416.87 g/mol
Exact Mass416.13
IUPAC Name2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C20H21ClN4O4/c21-16-10-9-14(11-18(16)25(28)29)22-12-19(26)24-17-8-4-3-7-15(17)20(27)23-13-5-1-2-6-13/h3-4,7-11,13,22H,1-2,5-6,12H2,(H,23,27)(H,24,26)
InChIKeyRFJPDERGWKWWJQ-UHFFFAOYSA-N
XLogP3.97
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.97
H-Bond Donors ≤ 53
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-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54833165
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438778
N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide
CID 52522922
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide (CID 18283322) is 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide is O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is RFJPDERGWKWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4/c21-16-10-9-14(11-18(16)25(28)29)22-12-19(26)24-17-8-4-3-7-15(17)20(27)23-13-5-1-2-6-13/h3-4,7-11,13,22H,1-2,5-6,12H2,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 416.87 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 18283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).