(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide

C15H12ClFN2O — CID 28867683

IUPAC(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESNc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C15H12ClFN2O/c16-13-7-6-12(9-14(13)18)19-15(20)8-3-10-1-4-11(17)5-2-10/h1-9H,18H2,(H,19,20)/b8-3+
InChIKeyDNIHSBRKWMADTH-FPYGCLRLSA-N
MW290.73 g/mol
LogP3.71
Rot. Bonds3

About (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 28867683) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID28867683
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESNc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C15H12ClFN2O/c16-13-7-6-12(9-14(13)18)19-15(20)8-3-10-1-4-11(17)5-2-10/h1-9H,18H2,(H,19,20)/b8-3+
InChIKeyDNIHSBRKWMADTH-FPYGCLRLSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)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)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 18285555
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4666704
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-(1,3-dioxoisoindol-5-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17172115
(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
CID 107621799

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 28867683) is (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide is Nc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is DNIHSBRKWMADTH-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-13-7-6-12(9-14(13)18)19-15(20)8-3-10-1-4-11(17)5-2-10/h1-9H,18H2,(H,19,20)/b8-3+.
What are the key properties of (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 290.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 28867683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).