N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide

C20H22N4O4 — CID 22467377

IUPACN-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
SMILESNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCC2)cc1
InChIInChI=1S/C20H22N4O4/c21-19(25)14-7-5-13(6-8-14)12-22-20(26)17-11-16(24(27)28)9-10-18(17)23-15-3-1-2-4-15/h5-11,15,23H,1-4,12H2,(H2,21,25)(H,22,26)
InChIKeySFIAMDCKLMHCFE-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.98
Rot. Bonds7

About N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide

N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide (PubChem CID 22467377) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
PubChem CID22467377
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide
SMILESNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCC2)cc1
InChIInChI=1S/C20H22N4O4/c21-19(25)14-7-5-13(6-8-14)12-22-20(26)17-11-16(24(27)28)9-10-18(17)23-15-3-1-2-4-15/h5-11,15,23H,1-4,12H2,(H2,21,25)(H,22,26)
InChIKeySFIAMDCKLMHCFE-UHFFFAOYSA-N
XLogP2.98
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.98
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-(cyclopentylamino)-N-(naphthalen-1-ylmethyl)-5-nitrobenzamide
CID 70067874
2-(cycloheptylamino)-N-hexyl-5-nitrobenzamide
CID 22467514
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
N-[(3,4-dimethoxyphenyl)methyl]-2-[[4-(2-hydroxyethylcarbamoyl)cyclohexyl]amino]-5-nitrobenzamide
CID 22467482
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
3-(cyclohexylamino)-4-nitrobenzamide
CID 82994813
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
2-[(1-cyclohexylpiperidin-3-yl)amino]-5-nitrobenzamide
CID 133296202
N-[(4-cyclohexyloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 60615000
5-nitro-2-(piperidin-3-ylamino)benzamide
CID 63318654
2-[(1-cyclohexylpiperidin-3-yl)amino]-N-methyl-5-nitrobenzamide
CID 86904420

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide (CID 22467377) is N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide is NC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCC2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide?
The InChIKey is SFIAMDCKLMHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c21-19(25)14-7-5-13(6-8-14)12-22-20(26)17-11-16(24(27)28)9-10-18(17)23-15-3-1-2-4-15/h5-11,15,23H,1-4,12H2,(H2,21,25)(H,22,26).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide?
N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide has a molecular weight of 382.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide is sourced from PubChem (CID 22467377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).