(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide

C18H19ClFNO — CID 25477648

IUPAC(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClFNO/c1-3-12(2)17(13-7-5-4-6-8-13)18(22)21-16-10-9-14(20)11-15(16)19/h4-12,17H,3H2,1-2H3,(H,21,22)/t12-,17+/m0/s1
InChIKeyZUTDMFDOKVEPBE-YVEFUNNKSA-N
MW319.81 g/mol
LogP5.25
Rot. Bonds5

About (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide

(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide (PubChem CID 25477648) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
PubChem CID25477648
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C18H19ClFNO/c1-3-12(2)17(13-7-5-4-6-8-13)18(22)21-16-10-9-14(20)11-15(16)19/h4-12,17H,3H2,1-2H3,(H,21,22)/t12-,17+/m0/s1
InChIKeyZUTDMFDOKVEPBE-YVEFUNNKSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.81
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206
2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methyl-2-phenylpentanoate
CID 55422375
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-fluorophenyl)propanamide
CID 8859904
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide (CID 25477648) is (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide is CC[C@H](C)[C@@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide?
The InChIKey is ZUTDMFDOKVEPBE-YVEFUNNKSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-3-12(2)17(13-7-5-4-6-8-13)18(22)21-16-10-9-14(20)11-15(16)19/h4-12,17H,3H2,1-2H3,(H,21,22)/t12-,17+/m0/s1.
What are the key properties of (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide?
(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide has a molecular weight of 319.81 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 25477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).