2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide

C25H27Cl2FN4O2 — CID 44560279

IUPAC2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
InChIInChI=1S/C25H27Cl2FN4O2/c1-25(2,31-13-22(33)32-14-20(28)11-21(32)12-29)15-30-24(34)23(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20-21,23,31H,11,13-15H2,1-2H3,(H,30,34)/t20-,21-/m0/s1
InChIKeyOLFHOQNZMJPBFI-SFTDATJTSA-N
MW505.42 g/mol
LogP4.07
Rot. Bonds8

About 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide

2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide (PubChem CID 44560279) has the molecular formula C25H27Cl2FN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide
PubChem CID44560279
Molecular FormulaC25H27Cl2FN4O2
Molecular Weight505.42 g/mol
Exact Mass504.15
IUPAC Name2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
InChIInChI=1S/C25H27Cl2FN4O2/c1-25(2,31-13-22(33)32-14-20(28)11-21(32)12-29)15-30-24(34)23(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20-21,23,31H,11,13-15H2,1-2H3,(H,30,34)/t20-,21-/m0/s1
InChIKeyOLFHOQNZMJPBFI-SFTDATJTSA-N
XLogP4.07
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
CID 9972202
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(2S,3S)-3-[4-(2-chlorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895818
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 56680284
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 56680285
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 56683606

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide (CID 44560279) is 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide is CC(C)(CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide?
The InChIKey is OLFHOQNZMJPBFI-SFTDATJTSA-N. The full InChI is InChI=1S/C25H27Cl2FN4O2/c1-25(2,31-13-22(33)32-14-20(28)11-21(32)12-29)15-30-24(34)23(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20-21,23,31H,11,13-15H2,1-2H3,(H,30,34)/t20-,21-/m0/s1.
What are the key properties of 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide?
2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide has a molecular weight of 505.42 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]acetamide is sourced from PubChem (CID 44560279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).