2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide

C25H30ClFN2O2 — CID 132612259

IUPAC2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H30ClFN2O2/c1-2-23(25(31)28-21-9-4-3-5-10-21)29(17-19-8-6-7-11-22(19)26)24(30)16-18-12-14-20(27)15-13-18/h6-8,11-15,21,23H,2-5,9-10,16-17H2,1H3,(H,28,31)
InChIKeyKIIPLOXMRQWXRQ-UHFFFAOYSA-N
MW444.98 g/mol
LogP5.28
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide

2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide (PubChem CID 132612259) has the molecular formula C25H30ClFN2O2 and a molecular weight of 444.98 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
PubChem CID132612259
Molecular FormulaC25H30ClFN2O2
Molecular Weight444.98 g/mol
Exact Mass444.20
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C25H30ClFN2O2/c1-2-23(25(31)28-21-9-4-3-5-10-21)29(17-19-8-6-7-11-22(19)26)24(30)16-18-12-14-20(27)15-13-18/h6-8,11-15,21,23H,2-5,9-10,16-17H2,1H3,(H,28,31)
InChIKeyKIIPLOXMRQWXRQ-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.98
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide 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

2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614247
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610790
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 132947550
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100562670
N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132986134
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-ethylbutanamide
CID 132659399
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentylbutanamide
CID 132610488
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 100697883
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132612519
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132611760
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 100567970

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide (CID 132612259) is 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide is CCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
The InChIKey is KIIPLOXMRQWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN2O2/c1-2-23(25(31)28-21-9-4-3-5-10-21)29(17-19-8-6-7-11-22(19)26)24(30)16-18-12-14-20(27)15-13-18/h6-8,11-15,21,23H,2-5,9-10,16-17H2,1H3,(H,28,31).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide has a molecular weight of 444.98 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 132612259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).