2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C22H19ClN2O3 — CID 2241478

IUPAC2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c1-14-7-10-16(11-8-14)24-22(27)20(13-17-12-9-15(2)28-17)25-21(26)18-5-3-4-6-19(18)23/h3-13H,1-2H3,(H,24,27)(H,25,26)/b20-13-
InChIKeyOBLYWZFTZIJZJG-MOSHPQCFSA-N
MW394.86 g/mol
LogP4.96
Rot. Bonds5

About 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2241478) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2241478
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c1-14-7-10-16(11-8-14)24-22(27)20(13-17-12-9-15(2)28-17)25-21(26)18-5-3-4-6-19(18)23/h3-13H,1-2H3,(H,24,27)(H,25,26)/b20-13-
InChIKeyOBLYWZFTZIJZJG-MOSHPQCFSA-N
XLogP4.96
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide 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

N-[3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5236171
2-bromo-N-[1-(5-methylfuran-2-yl)-3-oxo-3-[4-(trifluoromethoxy)anilino]prop-1-en-2-yl]benzamide
CID 91969720
2-chloro-N-[(Z)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2280061
3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1359320
methyl 4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 98446664
2-chloro-N-[(E)-1-(4-fluorophenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6140838
2-chloro-N-[(Z)-1-(4-fluorophenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6528938
N-[3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
CID 1359375
N-[3-(4-bromoanilino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 4015471
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
CID 2928877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 2241478) is 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is Cc1ccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is OBLYWZFTZIJZJG-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-14-7-10-16(11-8-14)24-22(27)20(13-17-12-9-15(2)28-17)25-21(26)18-5-3-4-6-19(18)23/h3-13H,1-2H3,(H,24,27)(H,25,26)/b20-13-.
What are the key properties of 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2241478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).