2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide

C14H14ClFN2O2 — CID 61470316

IUPAC2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1ccc(Cl)c(F)c1)C(=O)NCc1ccco1
InChIInChI=1S/C14H14ClFN2O2/c1-9(14(19)17-8-11-3-2-6-20-11)18-10-4-5-12(15)13(16)7-10/h2-7,9,18H,8H2,1H3,(H,17,19)
InChIKeyICYZYZBMYSESLH-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide

2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 61470316) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID61470316
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1ccc(Cl)c(F)c1)C(=O)NCc1ccco1
InChIInChI=1S/C14H14ClFN2O2/c1-9(14(19)17-8-11-3-2-6-20-11)18-10-4-5-12(15)13(16)7-10/h2-7,9,18H,8H2,1H3,(H,17,19)
InChIKeyICYZYZBMYSESLH-UHFFFAOYSA-N
XLogP3.19
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651727
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide (CID 61470316) is 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide is CC(Nc1ccc(Cl)c(F)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is ICYZYZBMYSESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-9(14(19)17-8-11-3-2-6-20-11)18-10-4-5-12(15)13(16)7-10/h2-7,9,18H,8H2,1H3,(H,17,19).
What are the key properties of 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 296.73 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 61470316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).