2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide

C23H26BrClN2O2 — CID 133196382

IUPAC2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26BrClN2O2/c1-16(23(29)26-21-4-2-3-5-21)27(15-18-6-10-19(24)11-7-18)22(28)14-17-8-12-20(25)13-9-17/h6-13,16,21H,2-5,14-15H2,1H3,(H,26,29)
InChIKeyLYVZNMVCHBSPFK-UHFFFAOYSA-N
MW477.83 g/mol
LogP5.12
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide

2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 133196382) has the molecular formula C23H26BrClN2O2 and a molecular weight of 477.83 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
PubChem CID133196382
Molecular FormulaC23H26BrClN2O2
Molecular Weight477.83 g/mol
Exact Mass476.09
IUPAC Name2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26BrClN2O2/c1-16(23(29)26-21-4-2-3-5-21)27(15-18-6-10-19(24)11-7-18)22(28)14-17-8-12-20(25)13-9-17/h6-13,16,21H,2-5,14-15H2,1H3,(H,26,29)
InChIKeyLYVZNMVCHBSPFK-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
2-[(4-bromophenyl)methyl-[2-(2-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196485
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196489
(2R)-2-[(4-bromophenyl)methyl-[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 100567413
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416
(2R)-2-[(4-bromophenyl)methyl-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclohexylpropanamide
CID 100570442
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
(2S)-2-[(4-bromophenyl)methyl-[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 100568580
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132614825
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100509731
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide (CID 133196382) is 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is LYVZNMVCHBSPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrClN2O2/c1-16(23(29)26-21-4-2-3-5-21)27(15-18-6-10-19(24)11-7-18)22(28)14-17-8-12-20(25)13-9-17/h6-13,16,21H,2-5,14-15H2,1H3,(H,26,29).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide?
2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 477.83 g/mol, XLogP of 5.12, 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-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 133196382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).