2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

C13H19ClN2O2 — CID 113246770

IUPAC2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cccc(C)c1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9-5-4-6-11(13(9)14)15-7-12(17)16-10(2)8-18-3/h4-6,10,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyJUKHNWONTWLDSZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.21
Rot. Bonds6

About 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 113246770) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID113246770
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cccc(C)c1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9-5-4-6-11(13(9)14)15-7-12(17)16-10(2)8-18-3/h4-6,10,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyJUKHNWONTWLDSZ-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
CID 94814438
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103238726
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 115936108
2-amino-3-(2-chloro-3-methylanilino)propanamide
CID 130495827

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 113246770) is 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1cccc(C)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is JUKHNWONTWLDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9-5-4-6-11(13(9)14)15-7-12(17)16-10(2)8-18-3/h4-6,10,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 113246770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).