4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C20H21ClN2O3 — CID 5437782

IUPAC4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c21-15-10-8-14(9-11-15)19(24)23-18(13-17-7-4-12-26-17)20(25)22-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6H2,(H,22,25)(H,23,24)/b18-13-
InChIKeyOFUZOLSFYPHURN-AQTBWJFISA-N
MW372.85 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5437782) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5437782
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c21-15-10-8-14(9-11-15)19(24)23-18(13-17-7-4-12-26-17)20(25)22-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6H2,(H,22,25)(H,23,24)/b18-13-
InChIKeyOFUZOLSFYPHURN-AQTBWJFISA-N
XLogP4.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
CID 7137594
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
4-chloro-N-[(Z)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2302592
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]prop-1-en-2-yl]benzamide
CID 86942402
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
4-chloro-N-[(E)-3-(4-ethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 143030474
4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3708482
N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599646
N-[(Z)-3-(cyclopentylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 45035895
N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 18552651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 5437782) is 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is O=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is OFUZOLSFYPHURN-AQTBWJFISA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-15-10-8-14(9-11-15)19(24)23-18(13-17-7-4-12-26-17)20(25)22-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6H2,(H,22,25)(H,23,24)/b18-13-.
What are the key properties of 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 372.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5437782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).