(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide

C19H21F2NO2 — CID 8502612

IUPAC(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-3-13(2)17(14-7-5-4-6-8-14)18(23)22-15-9-11-16(12-10-15)24-19(20)21/h4-13,17,19H,3H2,1-2H3,(H,22,23)/t13-,17-/m0/s1
InChIKeyYUZUKIDVMDOJJV-GUYCJALGSA-N
MW333.38 g/mol
LogP5.06
Rot. Bonds7

About (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide

(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide (PubChem CID 8502612) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide
PubChem CID8502612
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H21F2NO2/c1-3-13(2)17(14-7-5-4-6-8-14)18(23)22-15-9-11-16(12-10-15)24-19(20)21/h4-13,17,19H,3H2,1-2H3,(H,22,23)/t13-,17-/m0/s1
InChIKeyYUZUKIDVMDOJJV-GUYCJALGSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
[(2R)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720416
[(2S)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720414
(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 51933857
(2S,3S)-2-[[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099897
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502651
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide (CID 8502612) is (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide is CC[C@H](C)[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide?
The InChIKey is YUZUKIDVMDOJJV-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-3-13(2)17(14-7-5-4-6-8-14)18(23)22-15-9-11-16(12-10-15)24-19(20)21/h4-13,17,19H,3H2,1-2H3,(H,22,23)/t13-,17-/m0/s1.
What are the key properties of (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide?
(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide has a molecular weight of 333.38 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 8502612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).