2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

C14H21ClN2O3 — CID 47123139

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-9-5-12(13(20-4)6-11(9)15)16-7-14(18)17-10(2)8-19-3/h5-6,10,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyCGSSJKGBHAVJQI-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.22
Rot. Bonds7

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 47123139) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID47123139
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-9-5-12(13(20-4)6-11(9)15)16-7-14(18)17-10(2)8-19-3/h5-6,10,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyCGSSJKGBHAVJQI-UHFFFAOYSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 109007861
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085869
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
2-(4-chloro-2-methoxy-5-methylanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9102876
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 47123139) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is CGSSJKGBHAVJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9-5-12(13(20-4)6-11(9)15)16-7-14(18)17-10(2)8-19-3/h5-6,10,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 300.79 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 47123139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).