(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide

C17H16FNO2 — CID 58478982

IUPAC(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide
SMILESCOc1cc(/C(=C/C(N)=O)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C17H16FNO2/c1-11-3-4-13(9-16(11)21-2)15(10-17(19)20)12-5-7-14(18)8-6-12/h3-10H,1-2H3,(H2,19,20)/b15-10+
InChIKeyMMIVCGHVVVXRBP-XNTDXEJSSA-N
MW285.32 g/mol
LogP3.06
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide (PubChem CID 58478982) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide
PubChem CID58478982
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide
SMILESCOc1cc(/C(=C/C(N)=O)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C17H16FNO2/c1-11-3-4-13(9-16(11)21-2)15(10-17(19)20)12-5-7-14(18)8-6-12/h3-10H,1-2H3,(H2,19,20)/b15-10+
InChIKeyMMIVCGHVVVXRBP-XNTDXEJSSA-N
XLogP3.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
amino 3-methoxy-4-methylbenzoate
CID 175307316
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
CID 135428230
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
3,3-bis(4-fluorophenyl)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 15230543
(E)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731475
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
(Z)-3-(4-fluorophenyl)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 67731504
3-hydroxy-1-(3-methoxy-4-methylphenyl)-2-(2-methoxyphenoxy)propan-1-one
CID 130466516

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide (CID 58478982) is (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide is COc1cc(/C(=C/C(N)=O)c2ccc(F)cc2)ccc1C.
What is the InChIKey of (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide?
The InChIKey is MMIVCGHVVVXRBP-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-3-4-13(9-16(11)21-2)15(10-17(19)20)12-5-7-14(18)8-6-12/h3-10H,1-2H3,(H2,19,20)/b15-10+.
What are the key properties of (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide has a molecular weight of 285.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 58478982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).