(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide

C16H14FNO — CID 170399726

IUPAC(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(N)=O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO/c1-11-5-6-12(7-8-16(18)19)15(9-11)13-3-2-4-14(17)10-13/h2-10H,1H3,(H2,18,19)/b8-7+
InChIKeyXVHRAXKJQPXPAF-BQYQJAHWSA-N
MW255.29 g/mol
LogP3.30
Rot. Bonds3

About (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide

(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide (PubChem CID 170399726) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide
PubChem CID170399726
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(N)=O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO/c1-11-5-6-12(7-8-16(18)19)15(9-11)13-3-2-4-14(17)10-13/h2-10H,1H3,(H2,18,19)/b8-7+
InChIKeyXVHRAXKJQPXPAF-BQYQJAHWSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.30
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

3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
CID 151863376
(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876888
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
CID 69316354
(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
CID 170877618
2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
CID 102219851
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide
CID 170876792
2-[2-(3-amino-3-oxoprop-1-enyl)-5-fluorophenyl]acetic acid
CID 169482218
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
2-(3-amino-3-oxoprop-1-enyl)-4-fluorobenzoic acid
CID 169481992

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide (CID 170399726) is (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide is Cc1ccc(/C=C/C(N)=O)c(-c2cccc(F)c2)c1.
What is the InChIKey of (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide?
The InChIKey is XVHRAXKJQPXPAF-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-5-6-12(7-8-16(18)19)15(9-11)13-3-2-4-14(17)10-13/h2-10H,1H3,(H2,18,19)/b8-7+.
What are the key properties of (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide?
(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide has a molecular weight of 255.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide is sourced from PubChem (CID 170399726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).