2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide

C15H23ClN2O — CID 43113422

IUPAC2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-7-8-12(16)10(13)2/h7-9,11,17H,6H2,1-5H3,(H,18,19)
InChIKeyZXUHKELJVNGTJK-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.75
Rot. Bonds5

About 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide

2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43113422) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID43113422
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-7-8-12(16)10(13)2/h7-9,11,17H,6H2,1-5H3,(H,18,19)
InChIKeyZXUHKELJVNGTJK-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
CID 43086912
2-(3-chloro-2-methylanilino)-N-prop-2-ynylpropanamide
CID 43113423
2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43122827
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55917932
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
methyl 3-(3-chloro-2-methylanilino)butanoate
CID 43536622
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide (CID 43113422) is 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1cccc(Cl)c1C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is ZXUHKELJVNGTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-7-8-12(16)10(13)2/h7-9,11,17H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 282.81 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43113422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).