(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide

C24H27ClFNO — CID 67957933

IUPAC(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide
SMILESCC1(Cc2ccc(F)c(NC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)c2)CC1
InChIInChI=1S/C24H27ClFNO/c1-24(12-13-24)15-16-6-11-20(26)21(14-16)27-23(28)22(17-4-2-3-5-17)18-7-9-19(25)10-8-18/h6-11,14,17,22H,2-5,12-13,15H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeyPPPITVHRAKJRJR-JOCHJYFZSA-N
MW399.94 g/mol
LogP6.73
Rot. Bonds6

About (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide

(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide (PubChem CID 67957933) has the molecular formula C24H27ClFNO and a molecular weight of 399.94 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide
PubChem CID67957933
Molecular FormulaC24H27ClFNO
Molecular Weight399.94 g/mol
Exact Mass399.18
IUPAC Name(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide
SMILESCC1(Cc2ccc(F)c(NC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)c2)CC1
InChIInChI=1S/C24H27ClFNO/c1-24(12-13-24)15-16-6-11-20(26)21(14-16)27-23(28)22(17-4-2-3-5-17)18-7-9-19(25)10-8-18/h6-11,14,17,22H,2-5,12-13,15H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeyPPPITVHRAKJRJR-JOCHJYFZSA-N
XLogP6.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodopropan-2-yl 1-[[3-[[2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylate
CID 118102571
(2S)-2-[4-[(E)-2-cyanoethenyl]phenyl]-2-cyclopentyl-N-[5-(cyclopropylmethyl)-2-fluorophenyl]acetamide
CID 118091167
1-[[3-[[2-cyclopentyl-2-[4-[(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)methyl]phenyl]acetyl]amino]-4-fluorophenyl]methyl]cyclopropane-1-carboxylic acid
CID 70143208
1-[[4-chloro-3-[[2-(4-chlorophenyl)-2-(3,3-dichlorocyclopentyl)acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 150399646
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
CID 174698422
2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 110306520
(2S)-2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-cyclohexyl-2-(3,5-difluorophenyl)acetamide
CID 68585436
(2S)-2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-cycloheptyl-2-(3,5-difluorophenyl)acetamide
CID 68585817
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-[[3-[[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 57344330
2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide
CID 110357237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide (CID 67957933) is (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide is CC1(Cc2ccc(F)c(NC(=O)[C@@H](c3ccc(Cl)cc3)C3CCCC3)c2)CC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide?
The InChIKey is PPPITVHRAKJRJR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27ClFNO/c1-24(12-13-24)15-16-6-11-20(26)21(14-16)27-23(28)22(17-4-2-3-5-17)18-7-9-19(25)10-8-18/h6-11,14,17,22H,2-5,12-13,15H2,1H3,(H,27,28)/t22-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide?
(2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide has a molecular weight of 399.94 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-cyclopentyl-N-[2-fluoro-5-[(1-methylcyclopropyl)methyl]phenyl]acetamide is sourced from PubChem (CID 67957933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).