(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide

C18H14ClNO2 — CID 7465060

IUPAC(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/C1=Cc2ccccc2OC1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2/c19-15-5-3-6-16(11-15)20-18(21)9-8-13-10-14-4-1-2-7-17(14)22-12-13/h1-11H,12H2,(H,20,21)/b9-8+
InChIKeyCLRLINDGTJFGIE-CMDGGOBGSA-N
MW311.77 g/mol
LogP4.31
Rot. Bonds3

About (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide

(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide (PubChem CID 7465060) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
PubChem CID7465060
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/C1=Cc2ccccc2OC1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2/c19-15-5-3-6-16(11-15)20-18(21)9-8-13-10-14-4-1-2-7-17(14)22-12-13/h1-11H,12H2,(H,20,21)/b9-8+
InChIKeyCLRLINDGTJFGIE-CMDGGOBGSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide 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

(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide
CID 7465050
(E)-N-(4-acetamidophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
CID 7465096
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
3-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
CID 26787994
2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
CID 9399460
3-(2H-chromen-3-yl)prop-2-enoic acid
CID 53405773
(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 7465051
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24516163
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 24515923
(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide
CID 60621212
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
CID 46192447

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide (CID 7465060) is (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide is O=C(/C=C/C1=Cc2ccccc2OC1)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide?
The InChIKey is CLRLINDGTJFGIE-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-15-5-3-6-16(11-15)20-18(21)9-8-13-10-14-4-1-2-7-17(14)22-12-13/h1-11H,12H2,(H,20,21)/b9-8+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide?
(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide has a molecular weight of 311.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide is sourced from PubChem (CID 7465060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).