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

C24H28ClFN2O2 — CID 132610790

IUPAC2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H28ClFN2O2/c1-2-22(24(30)27-20-8-4-5-9-20)28(16-17-11-13-19(26)14-12-17)23(29)15-18-7-3-6-10-21(18)25/h3,6-7,10-14,20,22H,2,4-5,8-9,15-16H2,1H3,(H,27,30)
InChIKeyHWOTUNGJCNTAFC-UHFFFAOYSA-N
MW430.95 g/mol
LogP4.89
Rot. Bonds8

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

2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide (PubChem CID 132610790) has the molecular formula C24H28ClFN2O2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide
PubChem CID132610790
Molecular FormulaC24H28ClFN2O2
Molecular Weight430.95 g/mol
Exact Mass430.18
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H28ClFN2O2/c1-2-22(24(30)27-20-8-4-5-9-20)28(16-17-11-13-19(26)14-12-17)23(29)15-18-7-3-6-10-21(18)25/h3,6-7,10-14,20,22H,2,4-5,8-9,15-16H2,1H3,(H,27,30)
InChIKeyHWOTUNGJCNTAFC-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132612259
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100562670
2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132616992
N-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132708870
N-tert-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132708882
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100716094
N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132986134
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614247
(2R)-2-[benzyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528617
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132616670
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentylbutanamide
CID 132610488

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide (CID 132610790) is 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide?
The InChIKey is HWOTUNGJCNTAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2O2/c1-2-22(24(30)27-20-8-4-5-9-20)28(16-17-11-13-19(26)14-12-17)23(29)15-18-7-3-6-10-21(18)25/h3,6-7,10-14,20,22H,2,4-5,8-9,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide?
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide has a molecular weight of 430.95 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 132610790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).