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

C22H23ClN2O2 — CID 6504595

IUPACN-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NC1CCCCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H23ClN2O2/c23-18-13-11-16(12-14-18)15-20(22(27)24-19-9-5-2-6-10-19)25-21(26)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27)(H,25,26)/b20-15-
InChIKeyVDEGLBPHGBMXDW-HKWRFOASSA-N
MW382.89 g/mol
LogP4.56
Rot. Bonds5

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

N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 6504595) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID6504595
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NC1CCCCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H23ClN2O2/c23-18-13-11-16(12-14-18)15-20(22(27)24-19-9-5-2-6-10-19)25-21(26)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27)(H,25,26)/b20-15-
InChIKeyVDEGLBPHGBMXDW-HKWRFOASSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 6504595) is N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide is O=C(NC1CCCCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is VDEGLBPHGBMXDW-HKWRFOASSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-18-13-11-16(12-14-18)15-20(22(27)24-19-9-5-2-6-10-19)25-21(26)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27)(H,25,26)/b20-15-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 382.89 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6504595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).