(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide

C17H14F3NO — CID 8782179

IUPAC(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F3NO/c1-11(15-7-6-14(19)10-16(15)20)21-17(22)8-5-12-3-2-4-13(18)9-12/h2-11H,1H3,(H,21,22)/b8-5+/t11-/m1/s1
InChIKeyDVBOCZYAPIROKQ-AYLMVEPYSA-N
MW305.30 g/mol
LogP3.99
Rot. Bonds4

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

(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 8782179) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID8782179
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H14F3NO/c1-11(15-7-6-14(19)10-16(15)20)21-17(22)8-5-12-3-2-4-13(18)9-12/h2-11H,1H3,(H,21,22)/b8-5+/t11-/m1/s1
InChIKeyDVBOCZYAPIROKQ-AYLMVEPYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.99
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)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 42907058
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
(E)-3-(5-bromothiophen-2-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]prop-2-enamide
CID 9221155
(2S,3R)-2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 93302646
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8779107
methyl 2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407052
(2R)-2-[3-(3-fluorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975626
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8604891
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]butanoic acid
CID 43387222

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide (CID 8782179) is (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide is C[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(F)cc1F.
What is the InChIKey of (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is DVBOCZYAPIROKQ-AYLMVEPYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-11(15-7-6-14(19)10-16(15)20)21-17(22)8-5-12-3-2-4-13(18)9-12/h2-11H,1H3,(H,21,22)/b8-5+/t11-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 305.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8782179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).