N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide

C13H17Cl2NO — CID 51968542

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-8(2)6-13(17)16-9(3)11-5-4-10(14)7-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyIBOCDBNYNLDWFK-SECBINFHSA-N
MW274.19 g/mol
LogP4.22
Rot. Bonds4

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide (PubChem CID 51968542) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
PubChem CID51968542
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-8(2)6-13(17)16-9(3)11-5-4-10(14)7-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyIBOCDBNYNLDWFK-SECBINFHSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide (CID 51968542) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide is CC(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is IBOCDBNYNLDWFK-SECBINFHSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(2)6-13(17)16-9(3)11-5-4-10(14)7-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 274.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 51968542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).