(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide

C17H15ClFNO — CID 42990101

IUPAC(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO/c1-12(14-5-9-16(19)10-6-14)20-17(21)11-4-13-2-7-15(18)8-3-13/h2-12H,1H3,(H,20,21)/b11-4+
InChIKeyIKYDQSCUSJRTEP-NYYWCZLTSA-N
MW303.76 g/mol
LogP4.37
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide (PubChem CID 42990101) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
PubChem CID42990101
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO/c1-12(14-5-9-16(19)10-6-14)20-17(21)11-4-13-2-7-15(18)8-3-13/h2-12H,1H3,(H,20,21)/b11-4+
InChIKeyIKYDQSCUSJRTEP-NYYWCZLTSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 47034219
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(E)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9247948
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide (CID 42990101) is (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide?
The InChIKey is IKYDQSCUSJRTEP-NYYWCZLTSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-12(14-5-9-16(19)10-6-14)20-17(21)11-4-13-2-7-15(18)8-3-13/h2-12H,1H3,(H,20,21)/b11-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide has a molecular weight of 303.76 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 42990101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).