2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide

C20H21Cl3N2O2 — CID 132668252

IUPAC2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl3N2O2/c1-3-18(20(27)24-2)25(12-14-6-4-5-7-16(14)22)19(26)10-13-8-9-15(21)11-17(13)23/h4-9,11,18H,3,10,12H2,1-2H3,(H,24,27)
InChIKeyPBIDGNDAKUWALF-UHFFFAOYSA-N
MW427.76 g/mol
LogP4.74
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide

2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide (PubChem CID 132668252) has the molecular formula C20H21Cl3N2O2 and a molecular weight of 427.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide
PubChem CID132668252
Molecular FormulaC20H21Cl3N2O2
Molecular Weight427.76 g/mol
Exact Mass426.07
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl3N2O2/c1-3-18(20(27)24-2)25(12-14-6-4-5-7-16(14)22)19(26)10-13-8-9-15(21)11-17(13)23/h4-9,11,18H,3,10,12H2,1-2H3,(H,24,27)
InChIKeyPBIDGNDAKUWALF-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132659746
2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
CID 132650062
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725542
2-[(2,4-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbutanamide
CID 132681294
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132667152
(2R)-2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543083
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]propanamide
CID 100558374
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]butanamide
CID 132716685
N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]butanamide
CID 132716647
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132668230
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133221139

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide (CID 132668252) is 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide?
The InChIKey is PBIDGNDAKUWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O2/c1-3-18(20(27)24-2)25(12-14-6-4-5-7-16(14)22)19(26)10-13-8-9-15(21)11-17(13)23/h4-9,11,18H,3,10,12H2,1-2H3,(H,24,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide?
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide has a molecular weight of 427.76 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132668252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).