N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide

C25H29Cl2FN2O2 — CID 132616670

IUPACN-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F
InChIInChI=1S/C25H29Cl2FN2O2/c1-2-23(25(32)29-19-9-4-3-5-10-19)30(16-17-12-13-20(26)21(27)14-17)24(31)15-18-8-6-7-11-22(18)28/h6-8,11-14,19,23H,2-5,9-10,15-16H2,1H3,(H,29,32)
InChIKeyJCUNZYLBXPQZLX-UHFFFAOYSA-N
MW479.42 g/mol
LogP5.93
Rot. Bonds8

About N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide

N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide (PubChem CID 132616670) has the molecular formula C25H29Cl2FN2O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
PubChem CID132616670
Molecular FormulaC25H29Cl2FN2O2
Molecular Weight479.42 g/mol
Exact Mass478.16
IUPAC NameN-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F
InChIInChI=1S/C25H29Cl2FN2O2/c1-2-23(25(32)29-19-9-4-3-5-10-19)30(16-17-12-13-20(26)21(27)14-17)24(31)15-18-8-6-7-11-22(18)28/h6-8,11-14,19,23H,2-5,9-10,15-16H2,1H3,(H,29,32)
InChIKeyJCUNZYLBXPQZLX-UHFFFAOYSA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 100501441
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100582174
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132619391
2-[[2-(4-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132618806
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132986143
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100542409
2-[3-(2-chlorophenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132620630
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132614801
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]butanamide
CID 100580299
2-[butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132763541
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610790
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132610236

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide (CID 132616670) is N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide is CCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F.
What is the InChIKey of N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide?
The InChIKey is JCUNZYLBXPQZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2FN2O2/c1-2-23(25(32)29-19-9-4-3-5-10-19)30(16-17-12-13-20(26)21(27)14-17)24(31)15-18-8-6-7-11-22(18)28/h6-8,11-14,19,23H,2-5,9-10,15-16H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide?
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide has a molecular weight of 479.42 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide is sourced from PubChem (CID 132616670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).