2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide

C15H23ClN2O — CID 107634715

IUPAC2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1cc(C)ccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-10(2)7-8-12(13)16/h7-9,11,17H,6H2,1-5H3,(H,18,19)
InChIKeyGOSRMOQNUSSHLY-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.75
Rot. Bonds5

About 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide

2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107634715) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID107634715
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1cc(C)ccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-10(2)7-8-12(13)16/h7-9,11,17H,6H2,1-5H3,(H,18,19)
InChIKeyGOSRMOQNUSSHLY-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-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43122827
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113422
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
CID 107634612
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
CID 104726706
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107627767
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide (CID 107634715) is 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is GOSRMOQNUSSHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-6-15(4,5)18-14(19)11(3)17-13-9-10(2)7-8-12(13)16/h7-9,11,17H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(2-chloro-5-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-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107634715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).