N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide

C19H19FN2O2 — CID 166421340

IUPACN-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-18(23)22-15-10-8-14(9-11-15)12-19(24)21-13(2)16-6-4-5-7-17(16)20/h3-11,13H,1,12H2,2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyGOVSYFVLMNNNFQ-CYBMUJFWSA-N
MW326.37 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166421340) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166421340
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-18(23)22-15-10-8-14(9-11-15)12-19(24)21-13(2)16-6-4-5-7-17(16)20/h3-11,13H,1,12H2,2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyGOVSYFVLMNNNFQ-CYBMUJFWSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.37
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

2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
CID 154803721
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420251
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
N-[(2-fluorophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
CID 2526936
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166421340) is N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is GOVSYFVLMNNNFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-18(23)22-15-10-8-14(9-11-15)12-19(24)21-13(2)16-6-4-5-7-17(16)20/h3-11,13H,1,12H2,2H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 326.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166421340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).