(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide

C11H12ClFN2O2 — CID 51648206

IUPAC(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O2/c1-6(14-7(2)16)11(17)15-8-3-4-10(13)9(12)5-8/h3-6H,1-2H3,(H,14,16)(H,15,17)/t6-/m1/s1
InChIKeyIRUDQRJPMANDEK-ZCFIWIBFSA-N
MW258.68 g/mol
LogP1.94
Rot. Bonds3

About (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide

(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 51648206) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID51648206
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O2/c1-6(14-7(2)16)11(17)15-8-3-4-10(13)9(12)5-8/h3-6H,1-2H3,(H,14,16)(H,15,17)/t6-/m1/s1
InChIKeyIRUDQRJPMANDEK-ZCFIWIBFSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 39819250
N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 2426812
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
(2S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-propylpropanamide
CID 9095750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide (CID 51648206) is (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide is CC(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is IRUDQRJPMANDEK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c1-6(14-7(2)16)11(17)15-8-3-4-10(13)9(12)5-8/h3-6H,1-2H3,(H,14,16)(H,15,17)/t6-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide?
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 258.68 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 51648206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).