2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide

C23H25BrClFN2O2 — CID 133196489

IUPAC2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C23H25BrClFN2O2/c1-15(23(30)27-18-5-2-3-6-18)28(14-16-9-11-17(24)12-10-16)22(29)13-19-20(25)7-4-8-21(19)26/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,27,30)
InChIKeyGPHDRNYOCVORPJ-UHFFFAOYSA-N
MW495.82 g/mol
LogP5.26
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide

2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 133196489) has the molecular formula C23H25BrClFN2O2 and a molecular weight of 495.82 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
PubChem CID133196489
Molecular FormulaC23H25BrClFN2O2
Molecular Weight495.82 g/mol
Exact Mass494.08
IUPAC Name2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C23H25BrClFN2O2/c1-15(23(30)27-18-5-2-3-6-18)28(14-16-9-11-17(24)12-10-16)22(29)13-19-20(25)7-4-8-21(19)26/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,27,30)
InChIKeyGPHDRNYOCVORPJ-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 100565439
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132611888
2-[(4-bromophenyl)methyl-[2-(2-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196485
2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196382
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486
(2R)-2-[benzyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528617
(2R)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100508738
N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132621608
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100606135
2-[(4-bromophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133250910
(2S)-2-[(4-bromophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100528298
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132619391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide (CID 133196489) is 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is GPHDRNYOCVORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrClFN2O2/c1-15(23(30)27-18-5-2-3-6-18)28(14-16-9-11-17(24)12-10-16)22(29)13-19-20(25)7-4-8-21(19)26/h4,7-12,15,18H,2-3,5-6,13-14H2,1H3,(H,27,30).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 495.82 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 133196489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).