N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide

C29H32Cl2N2O2 — CID 132728679

IUPACN-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32Cl2N2O2/c1-20(2)18-32-29(35)21(3)33(19-22-14-15-26(30)27(31)16-22)28(34)17-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20-21,25H,17-19H2,1-3H3,(H,32,35)
InChIKeyYQLYYTYMFSPHHV-UHFFFAOYSA-N
MW511.49 g/mol
LogP6.70
Rot. Bonds10

About N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide

N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide (PubChem CID 132728679) has the molecular formula C29H32Cl2N2O2 and a molecular weight of 511.49 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
PubChem CID132728679
Molecular FormulaC29H32Cl2N2O2
Molecular Weight511.49 g/mol
Exact Mass510.18
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32Cl2N2O2/c1-20(2)18-32-29(35)21(3)33(19-22-14-15-26(30)27(31)16-22)28(34)17-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20-21,25H,17-19H2,1-3H3,(H,32,35)
InChIKeyYQLYYTYMFSPHHV-UHFFFAOYSA-N
XLogP6.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.49
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide 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

(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887
2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132712757
2-[(3,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132716625
(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125081488
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125074762
(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
CID 100732982
2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132752345
(2R)-2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125084527
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
CID 132986175
2-[(3,4-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132741831
2-[[2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132758629
2-[(3-chlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133204642

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide (CID 132728679) is N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide is CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
The InChIKey is YQLYYTYMFSPHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O2/c1-20(2)18-32-29(35)21(3)33(19-22-14-15-26(30)27(31)16-22)28(34)17-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20-21,25H,17-19H2,1-3H3,(H,32,35).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 511.49 g/mol, XLogP of 6.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 132728679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).