2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide

C19H23ClN2O2 — CID 109007861

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H23ClN2O2/c1-12(2)14-7-5-6-8-16(14)22-19(23)11-21-17-9-13(3)15(20)10-18(17)24-4/h5-10,12,21H,11H2,1-4H3,(H,22,23)
InChIKeyPNEZNVDOHYGNAA-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 109007861) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID109007861
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H23ClN2O2/c1-12(2)14-7-5-6-8-16(14)22-19(23)11-21-17-9-13(3)15(20)10-18(17)24-4/h5-10,12,21H,11H2,1-4H3,(H,22,23)
InChIKeyPNEZNVDOHYGNAA-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109011102
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922845
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
2-(2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 26507373
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 46797716

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide (CID 109007861) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide is COc1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is PNEZNVDOHYGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12(2)14-7-5-6-8-16(14)22-19(23)11-21-17-9-13(3)15(20)10-18(17)24-4/h5-10,12,21H,11H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 109007861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).