4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide

C19H20ClN3O3 — CID 56533911

IUPAC4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20ClN3O3/c20-14-5-10-17(18(11-14)23(25)26)19(24)22-16-8-6-15(7-9-16)21-12-13-3-1-2-4-13/h5-11,13,21H,1-4,12H2,(H,22,24)
InChIKeyUHTCEQGCUAJOAT-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.10
Rot. Bonds6

About 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide

4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide (PubChem CID 56533911) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide
PubChem CID56533911
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20ClN3O3/c20-14-5-10-17(18(11-14)23(25)26)19(24)22-16-8-6-15(7-9-16)21-12-13-3-1-2-4-13/h5-11,13,21H,1-4,12H2,(H,22,24)
InChIKeyUHTCEQGCUAJOAT-UHFFFAOYSA-N
XLogP5.10
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.10
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

4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
N-[(3-bromocyclohexyl)methyl]-4-chloro-2-nitrobenzamide
CID 106132707
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-nitrobenzamide
CID 104927193
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
cyclohexyl 2-[(4-chloro-2-nitrobenzoyl)amino]acetate
CID 69349258
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088
4-chloro-N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide
CID 119619506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide (CID 56533911) is 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide is O=C(Nc1ccc(NCC2CCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide?
The InChIKey is UHTCEQGCUAJOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-5-10-17(18(11-14)23(25)26)19(24)22-16-8-6-15(7-9-16)21-12-13-3-1-2-4-13/h5-11,13,21H,1-4,12H2,(H,22,24).
What are the key properties of 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide?
4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide has a molecular weight of 373.84 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 56533911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).