2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide

C14H18Cl2N2O2 — CID 78773290

IUPAC2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C14H18Cl2N2O2/c1-3-8(2)13(14(17)20)18-12(19)7-9-4-5-10(15)11(16)6-9/h4-6,8,13H,3,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyFNTFHUSJAQTWGQ-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.55
Rot. Bonds6

About 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide

2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide (PubChem CID 78773290) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
PubChem CID78773290
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C14H18Cl2N2O2/c1-3-8(2)13(14(17)20)18-12(19)7-9-4-5-10(15)11(16)6-9/h4-6,8,13H,3,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyFNTFHUSJAQTWGQ-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
methyl (2S,3S)-2-[[2-[2-(3,4-dichlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9203213
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 77039237
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
butyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]butanoate
CID 67636937
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 8025380
3-methyl-2-(3-naphthalen-2-ylpropanoylamino)pentanamide
CID 142442459

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide (CID 78773290) is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide?
The InChIKey is FNTFHUSJAQTWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-8(2)13(14(17)20)18-12(19)7-9-4-5-10(15)11(16)6-9/h4-6,8,13H,3,7H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide?
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide has a molecular weight of 317.22 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 78773290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).