2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide

C17H24Cl2N2O2 — CID 132701189

IUPAC2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide
SMILESCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(CC)C(=O)NC(C)C
InChIInChI=1S/C17H24Cl2N2O2/c1-5-15(17(23)20-11(3)4)21(16(22)6-2)10-12-7-8-13(18)14(19)9-12/h7-9,11,15H,5-6,10H2,1-4H3,(H,20,23)
InChIKeyFTCUVLKNTGJVHZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.04
Rot. Bonds7

About 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide

2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide (PubChem CID 132701189) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide
PubChem CID132701189
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide
SMILESCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(CC)C(=O)NC(C)C
InChIInChI=1S/C17H24Cl2N2O2/c1-5-15(17(23)20-11(3)4)21(16(22)6-2)10-12-7-8-13(18)14(19)9-12/h7-9,11,15H,5-6,10H2,1-4H3,(H,20,23)
InChIKeyFTCUVLKNTGJVHZ-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132986033
(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100596073
2-[(3,4-dichlorophenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylbutanamide
CID 132725429
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132723385
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132986036
2-[benzyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylbutanamide
CID 132676936
2-[4-(4-chlorophenoxy)butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132947097
2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide
CID 132649938
2-[(3,4-dichlorophenyl)methyl-[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbutanamide
CID 132736584
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]butanamide
CID 100733331
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100734904
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]butanamide
CID 100732069

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide (CID 132701189) is 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide is CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(CC)C(=O)NC(C)C.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide?
The InChIKey is FTCUVLKNTGJVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-5-15(17(23)20-11(3)4)21(16(22)6-2)10-12-7-8-13(18)14(19)9-12/h7-9,11,15H,5-6,10H2,1-4H3,(H,20,23).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide?
2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide has a molecular weight of 359.30 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132701189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).