N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide

C14H15Cl2NO2 — CID 142918333

IUPACN-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC1
InChIInChI=1S/C14H15Cl2NO2/c1-8(18)13(17-14(19)9-2-3-9)6-10-4-5-11(15)7-12(10)16/h4-5,7,9,13H,2-3,6H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyPTSJDGGATVEUBD-CYBMUJFWSA-N
MW300.19 g/mol
LogP3.02
Rot. Bonds5

About N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide

N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 142918333) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID142918333
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC NameN-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC1
InChIInChI=1S/C14H15Cl2NO2/c1-8(18)13(17-14(19)9-2-3-9)6-10-4-5-11(15)7-12(10)16/h4-5,7,9,13H,2-3,6H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyPTSJDGGATVEUBD-CYBMUJFWSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100569696
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
CID 70875789
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 40898930
N-[(2R)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 40898931
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide (CID 142918333) is N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide is CC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CC1.
What is the InChIKey of N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is PTSJDGGATVEUBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-8(18)13(17-14(19)9-2-3-9)6-10-4-5-11(15)7-12(10)16/h4-5,7,9,13H,2-3,6H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide?
N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 300.19 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142918333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).