2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide

C19H23ClN2O2 — CID 54812960

IUPAC2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C19H23ClN2O2/c1-13(2)12-24-18-10-5-4-8-17(18)22-19(23)11-21-16-9-6-7-15(20)14(16)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyQJKZWIURTOBMPK-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.73
Rot. Bonds7

About 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide

2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54812960) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
PubChem CID54812960
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C19H23ClN2O2/c1-13(2)12-24-18-10-5-4-8-17(18)22-19(23)11-21-16-9-6-7-15(20)14(16)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyQJKZWIURTOBMPK-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
N-(3-chloro-2-methylphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827342
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
2-(3,4-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54811574
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide (CID 54812960) is 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide is Cc1c(Cl)cccc1NCC(=O)Nc1ccccc1OCC(C)C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is QJKZWIURTOBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)12-24-18-10-5-4-8-17(18)22-19(23)11-21-16-9-6-7-15(20)14(16)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide?
2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54812960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).