2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide

C23H28BrClN2O2 — CID 133211862

IUPAC2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C23H28BrClN2O2/c1-16(2)14-26-23(29)17(3)27(15-18-8-11-20(24)12-9-18)22(28)13-10-19-6-4-5-7-21(19)25/h4-9,11-12,16-17H,10,13-15H2,1-3H3,(H,26,29)
InChIKeyOEKIONFMFBXQGX-UHFFFAOYSA-N
MW479.85 g/mol
LogP5.22
Rot. Bonds9

About 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide

2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 133211862) has the molecular formula C23H28BrClN2O2 and a molecular weight of 479.85 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID133211862
Molecular FormulaC23H28BrClN2O2
Molecular Weight479.85 g/mol
Exact Mass478.10
IUPAC Name2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C23H28BrClN2O2/c1-16(2)14-26-23(29)17(3)27(15-18-8-11-20(24)12-9-18)22(28)13-10-19-6-4-5-7-21(19)25/h4-9,11-12,16-17H,10,13-15H2,1-3H3,(H,26,29)
InChIKeyOEKIONFMFBXQGX-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-bromophenyl)methyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100731435
(2S)-2-[(4-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 100735738
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132708058
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
(2R)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100736725
2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide
CID 132717143
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132658494
2-[(3-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-butylpropanamide
CID 133152030
2-[3-(2-chlorophenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132715357
2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(4-bromophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 133211878
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethylpropanamide
CID 132662949
2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132662442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide (CID 133211862) is 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is OEKIONFMFBXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrClN2O2/c1-16(2)14-26-23(29)17(3)27(15-18-8-11-20(24)12-9-18)22(28)13-10-19-6-4-5-7-21(19)25/h4-9,11-12,16-17H,10,13-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide?
2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 479.85 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 133211862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).