2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide

C25H31FN2O2 — CID 132986143

IUPAC2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C25H31FN2O2/c1-2-23(25(30)27-21-14-7-4-8-15-21)28(18-19-11-5-3-6-12-19)24(29)17-20-13-9-10-16-22(20)26/h3,5-6,9-13,16,21,23H,2,4,7-8,14-15,17-18H2,1H3,(H,27,30)
InChIKeyTYUXVXTUCKWPFU-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.62
Rot. Bonds8

About 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide

2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide (PubChem CID 132986143) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
PubChem CID132986143
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C25H31FN2O2/c1-2-23(25(30)27-21-14-7-4-8-15-21)28(18-19-11-5-3-6-12-19)24(29)17-20-13-9-10-16-22(20)26/h3,5-6,9-13,16,21,23H,2,4,7-8,14-15,17-18H2,1H3,(H,27,30)
InChIKeyTYUXVXTUCKWPFU-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100542409
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132610236
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100562670
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132616670
(2R)-2-[benzyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528617
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133252797
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132614253
(2S)-N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100513743
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-cyclopentylbutanamide
CID 132986132
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
CID 100527162

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide (CID 132986143) is 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide is CCC(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F.
What is the InChIKey of 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
The InChIKey is TYUXVXTUCKWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-2-23(25(30)27-21-14-7-4-8-15-21)28(18-19-11-5-3-6-12-19)24(29)17-20-13-9-10-16-22(20)26/h3,5-6,9-13,16,21,23H,2,4,7-8,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide?
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide has a molecular weight of 410.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 132986143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).