5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

C23H24BrN3O5 — CID 46497249

IUPAC5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C23H24BrN3O5/c1-32-21-12-9-16(24)14-19(21)22(28)26-20(23(29)25-17-5-3-2-4-6-17)13-15-7-10-18(11-8-15)27(30)31/h7-14,17H,2-6H2,1H3,(H,25,29)(H,26,28)/b20-13-
InChIKeyPGWRMUHEFRNQLA-MOSHPQCFSA-N
MW502.37 g/mol
LogP4.59
Rot. Bonds7

About 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (PubChem CID 46497249) has the molecular formula C23H24BrN3O5 and a molecular weight of 502.37 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
PubChem CID46497249
Molecular FormulaC23H24BrN3O5
Molecular Weight502.37 g/mol
Exact Mass501.09
IUPAC Name5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C23H24BrN3O5/c1-32-21-12-9-16(24)14-19(21)22(28)26-20(23(29)25-17-5-3-2-4-6-17)13-15-7-10-18(11-8-15)27(30)31/h7-14,17H,2-6H2,1H3,(H,25,29)(H,26,28)/b20-13-
InChIKeyPGWRMUHEFRNQLA-MOSHPQCFSA-N
XLogP4.59
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(Z)-3-(3,4-dimethylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497386
5-bromo-N-[(Z)-3-(2-bromo-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497253
N-[(Z)-3-(cyclohexylamino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
CID 69145616
methyl 4-[[(Z)-2-[(5-bromo-2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 46497401
N-[3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1375811
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-[(Z)-3-(4-bromo-3-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497187
5-bromo-N-[(Z)-3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497400
5-bromo-2-methoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2898800
5-bromo-N-[(Z)-3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497420
(Z)-2-cyano-N-cyclopentyl-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 124546228
N-[(Z)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6519450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide (CID 46497249) is 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
The InChIKey is PGWRMUHEFRNQLA-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H24BrN3O5/c1-32-21-12-9-16(24)14-19(21)22(28)26-20(23(29)25-17-5-3-2-4-6-17)13-15-7-10-18(11-8-15)27(30)31/h7-14,17H,2-6H2,1H3,(H,25,29)(H,26,28)/b20-13-.
What are the key properties of 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide?
5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide has a molecular weight of 502.37 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 46497249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).