N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide

C14H19Cl2NO — CID 60619061

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-4-9(2)14(18)17-10(3)7-11-5-6-12(15)8-13(11)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyZNHMOMWCKOFFMR-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide (PubChem CID 60619061) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
PubChem CID60619061
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-4-9(2)14(18)17-10(3)7-11-5-6-12(15)8-13(11)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyZNHMOMWCKOFFMR-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119308693
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725542

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide (CID 60619061) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide is CCC(C)C(=O)NC(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide?
The InChIKey is ZNHMOMWCKOFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-9(2)14(18)17-10(3)7-11-5-6-12(15)8-13(11)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide has a molecular weight of 288.22 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 60619061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).