N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

C13H14FNO2 — CID 78911756

IUPACN-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CC2)cc1F
InChIInChI=1S/C13H14FNO2/c1-17-12-6-2-9(8-11(12)14)3-7-13(16)15-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,15,16)
InChIKeyXWEKTERJBBIFQL-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.13
Rot. Bonds4

About N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide (PubChem CID 78911756) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
PubChem CID78911756
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CC2)cc1F
InChIInChI=1S/C13H14FNO2/c1-17-12-6-2-9(8-11(12)14)3-7-13(16)15-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,15,16)
InChIKeyXWEKTERJBBIFQL-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.13
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-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]prop-2-enamide
CID 104927946
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
2-cyclopropyl-2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 76954397
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)prop-2-enamide
CID 74514644
(E)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 46524362
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
sodium 2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenolate
CID 67752639

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide (CID 78911756) is N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)NC2CC2)cc1F.
What is the InChIKey of N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
The InChIKey is XWEKTERJBBIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-17-12-6-2-9(8-11(12)14)3-7-13(16)15-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide has a molecular weight of 235.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 78911756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).