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

C16H22Cl2N2O2 — CID 132652594

IUPAC2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C(=O)NC(C)C
InChIInChI=1S/C16H22Cl2N2O2/c1-5-15(21)20(11(4)16(22)19-10(2)3)9-12-6-7-13(17)8-14(12)18/h6-8,10-11H,5,9H2,1-4H3,(H,19,22)
InChIKeyUBLVOLNIKOKLDI-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.65
Rot. Bonds6

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

2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide (PubChem CID 132652594) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
PubChem CID132652594
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C(=O)NC(C)C
InChIInChI=1S/C16H22Cl2N2O2/c1-5-15(21)20(11(4)16(22)19-10(2)3)9-12-6-7-13(17)8-14(12)18/h6-8,10-11H,5,9H2,1-4H3,(H,19,22)
InChIKeyUBLVOLNIKOKLDI-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698006
(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 100676452
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
CID 132762203
2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132672347
(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100696901
2-[[2-(4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132675682
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133150710
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132675999
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 100583518
2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132666556
2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132650421
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]propanamide
CID 100580244

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide (CID 132652594) is 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C(=O)NC(C)C.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The InChIKey is UBLVOLNIKOKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-5-15(21)20(11(4)16(22)19-10(2)3)9-12-6-7-13(17)8-14(12)18/h6-8,10-11H,5,9H2,1-4H3,(H,19,22).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide has a molecular weight of 345.27 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132652594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).