2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide

C23H23N3O3 — CID 70067874

IUPAC2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
SMILESO=C(NCc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1NC1CCCC1
InChIInChI=1S/C23H23N3O3/c27-23(24-15-17-8-5-7-16-6-1-4-11-20(16)17)21-14-19(26(28)29)12-13-22(21)25-18-9-2-3-10-18/h1,4-8,11-14,18,25H,2-3,9-10,15H2,(H,24,27)
InChIKeyBKSOHVZSOMXJBK-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.03
Rot. Bonds6

About 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide

2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide (PubChem CID 70067874) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
PubChem CID70067874
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
SMILESO=C(NCc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1NC1CCCC1
InChIInChI=1S/C23H23N3O3/c27-23(24-15-17-8-5-7-16-6-1-4-11-20(16)17)21-14-19(26(28)29)12-13-22(21)25-18-9-2-3-10-18/h1,4-8,11-14,18,25H,2-3,9-10,15H2,(H,24,27)
InChIKeyBKSOHVZSOMXJBK-UHFFFAOYSA-N
XLogP5.03
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.03
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-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
CID 22467377
N-(1-benzothiophen-2-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 22467406
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
CID 8699845
2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide
CID 86904420
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46476318
N-[(3,4-dimethoxyphenyl)methyl]-2-[[4-(2-hydroxyethylcarbamoyl)cyclohexyl]amino]-5-nitrobenzamide
CID 22467482

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide?
The IUPAC name of 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide (CID 70067874) is 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide is O=C(NCc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide?
The InChIKey is BKSOHVZSOMXJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(24-15-17-8-5-7-16-6-1-4-11-20(16)17)21-14-19(26(28)29)12-13-22(21)25-18-9-2-3-10-18/h1,4-8,11-14,18,25H,2-3,9-10,15H2,(H,24,27).
What are the key properties of 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide?
2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide has a molecular weight of 389.46 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide is sourced from PubChem (CID 70067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).