3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide

C16H14FNO2 — CID 77042676

IUPAC3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)Nc1ccc(CO)cc1
InChIInChI=1S/C16H14FNO2/c17-14-3-1-2-12(10-14)6-9-16(20)18-15-7-4-13(11-19)5-8-15/h1-10,19H,11H2,(H,18,20)
InChIKeyMEHWFPODPBUFMU-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.97
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide

3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide (PubChem CID 77042676) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
PubChem CID77042676
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)Nc1ccc(CO)cc1
InChIInChI=1S/C16H14FNO2/c17-14-3-1-2-12(10-14)6-9-16(20)18-15-7-4-13(11-19)5-8-15/h1-10,19H,11H2,(H,18,20)
InChIKeyMEHWFPODPBUFMU-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
2-chloro-5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 84555269
tert-butyl N-[2-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917054
butyl 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 7927008
2-cyano-N-[3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108922820
(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 8533833

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide (CID 77042676) is 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide is O=C(C=Cc1cccc(F)c1)Nc1ccc(CO)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The InChIKey is MEHWFPODPBUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-3-1-2-12(10-14)6-9-16(20)18-15-7-4-13(11-19)5-8-15/h1-10,19H,11H2,(H,18,20).
What are the key properties of 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide?
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 77042676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).