(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide

C15H13FN2O — CID 43600104

IUPAC(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
SMILESNc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H13FN2O/c16-13-8-7-12(17)10-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19)/b9-6+
InChIKeyIPQAGTBVETXXBV-RMKNXTFCSA-N
MW256.28 g/mol
LogP3.06
Rot. Bonds3

About (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide

(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide (PubChem CID 43600104) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
PubChem CID43600104
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
SMILESNc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H13FN2O/c16-13-8-7-12(17)10-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19)/b9-6+
InChIKeyIPQAGTBVETXXBV-RMKNXTFCSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
CID 101479508
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 39371944
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
CID 114839695

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide (CID 43600104) is (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide is Nc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide?
The InChIKey is IPQAGTBVETXXBV-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-8-7-12(17)10-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19)/b9-6+.
What are the key properties of (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide?
(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide has a molecular weight of 256.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 43600104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).