2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide

C22H25BrCl2N2O2 — CID 133226734

IUPAC2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25BrCl2N2O2/c1-4-14(2)26-22(29)15(3)27(13-16-5-8-18(23)9-6-16)21(28)12-17-7-10-19(24)20(25)11-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,26,29)
InChIKeyDZSYYOTVAWDUAX-UHFFFAOYSA-N
MW500.26 g/mol
LogP5.63
Rot. Bonds8

About 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide

2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide (PubChem CID 133226734) has the molecular formula C22H25BrCl2N2O2 and a molecular weight of 500.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide
PubChem CID133226734
Molecular FormulaC22H25BrCl2N2O2
Molecular Weight500.26 g/mol
Exact Mass498.05
IUPAC Name2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25BrCl2N2O2/c1-4-14(2)26-22(29)15(3)27(13-16-5-8-18(23)9-6-16)21(28)12-17-7-10-19(24)20(25)11-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,26,29)
InChIKeyDZSYYOTVAWDUAX-UHFFFAOYSA-N
XLogP5.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.26
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132986279
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
CID 100588515
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 100587926
2-[(4-bromophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 133226449
(2R)-2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100586370
(2S)-2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125086397
(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 100589574
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 100589582
N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]butanamide
CID 100590790
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
CID 100563938
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
CID 100563912
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 100566840

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide (CID 133226734) is 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is DZSYYOTVAWDUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrCl2N2O2/c1-4-14(2)26-22(29)15(3)27(13-16-5-8-18(23)9-6-16)21(28)12-17-7-10-19(24)20(25)11-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide?
2-[(4-bromophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 500.26 g/mol, XLogP of 5.63, 8 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-(3,4-dichlorophenyl)acetyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 133226734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).