N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide

C12H15Cl2NO — CID 94336012

IUPACN-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-3-8(2)15-12(16)7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyMWLYXTVEWSXUIU-MRVPVSSYSA-N
MW260.16 g/mol
LogP3.45
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide

N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 94336012) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID94336012
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-3-8(2)15-12(16)7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyMWLYXTVEWSXUIU-MRVPVSSYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
butyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]butanoate
CID 67636937
N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132986279
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide (CID 94336012) is N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide is CC[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is MWLYXTVEWSXUIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-8(2)15-12(16)7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide?
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 260.16 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 94336012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).