2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide

C13H19ClN2O — CID 124514697

IUPAC2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
SMILESCC[C@H](C)NCC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-10(3)15-8-12(17)16-13-9(2)6-5-7-11(13)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyGVKWPEJHUADRLV-JTQLQIEISA-N
MW254.76 g/mol
LogP2.98
Rot. Bonds5

About 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide

2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide (PubChem CID 124514697) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
PubChem CID124514697
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
SMILESCC[C@H](C)NCC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-10(3)15-8-12(17)16-13-9(2)6-5-7-11(13)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyGVKWPEJHUADRLV-JTQLQIEISA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60646938
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
CID 114209116
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide (CID 124514697) is 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide is CC[C@H](C)NCC(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide?
The InChIKey is GVKWPEJHUADRLV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-10(3)15-8-12(17)16-13-9(2)6-5-7-11(13)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide?
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide is sourced from PubChem (CID 124514697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).