2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide

C14H13Cl2FN2O2 — CID 107573921

IUPAC2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)NCc1ccco1
InChIInChI=1S/C14H13Cl2FN2O2/c1-8(14(20)18-7-10-3-2-4-21-10)19-9-5-11(15)13(17)12(16)6-9/h2-6,8,19H,7H2,1H3,(H,18,20)
InChIKeySOPQTWLWRGIDFK-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.84
Rot. Bonds5

About 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide

2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 107573921) has the molecular formula C14H13Cl2FN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID107573921
Molecular FormulaC14H13Cl2FN2O2
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)NCc1ccco1
InChIInChI=1S/C14H13Cl2FN2O2/c1-8(14(20)18-7-10-3-2-4-21-10)19-9-5-11(15)13(17)12(16)6-9/h2-6,8,19H,7H2,1H3,(H,18,20)
InChIKeySOPQTWLWRGIDFK-UHFFFAOYSA-N
XLogP3.84
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
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
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide (CID 107573921) is 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide is CC(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SOPQTWLWRGIDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2/c1-8(14(20)18-7-10-3-2-4-21-10)19-9-5-11(15)13(17)12(16)6-9/h2-6,8,19H,7H2,1H3,(H,18,20).
What are the key properties of 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide?
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 331.17 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 107573921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).