N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

C17H15FN2O2 — CID 19580690

IUPACN-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(21)20-16-8-6-15(7-9-16)19-11-10-17(22)13-2-4-14(18)5-3-13/h2-11,19H,1H3,(H,20,21)/b11-10+
InChIKeyWFWWCBVWYRDCHA-ZHACJKMWSA-N
MW298.32 g/mol
LogP3.59
Rot. Bonds5

About N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (PubChem CID 19580690) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
PubChem CID19580690
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(21)20-16-8-6-15(7-9-16)19-11-10-17(22)13-2-4-14(18)5-3-13/h2-11,19H,1H3,(H,20,21)/b11-10+
InChIKeyWFWWCBVWYRDCHA-ZHACJKMWSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
CID 171157335
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(E)-3-(3,4-dimethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 882690
(E)-1-(3,4-dimethoxyphenyl)-3-(4-fluoroanilino)prop-2-en-1-one
CID 2290472
3-(4-fluoroanilino)-1-(4-hexoxyphenyl)prop-2-en-1-one
CID 71350265
(E)-3-(4-acetylanilino)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5409095
(E)-3-(4-fluoroanilino)prop-2-enoic acid
CID 103234514
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 18527574
3-(3-ethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 3931527

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (CID 19580690) is N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The InChIKey is WFWWCBVWYRDCHA-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(21)20-16-8-6-15(7-9-16)19-11-10-17(22)13-2-4-14(18)5-3-13/h2-11,19H,1H3,(H,20,21)/b11-10+.
What are the key properties of N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is sourced from PubChem (CID 19580690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).