2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide

C18H21ClN2O2 — CID 54812884

IUPAC2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-17-10-5-4-8-16(17)21-18(22)11-20-15-9-6-7-14(19)13(15)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyGSBFPTXMSYJHHO-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.49
Rot. Bonds6

About 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide

2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 54812884) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID54812884
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-17-10-5-4-8-16(17)21-18(22)11-20-15-9-6-7-14(19)13(15)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyGSBFPTXMSYJHHO-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54812960
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide (CID 54812884) is 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide is Cc1c(Cl)cccc1NCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is GSBFPTXMSYJHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(2)23-17-10-5-4-8-16(17)21-18(22)11-20-15-9-6-7-14(19)13(15)3/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.49, 6 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-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54812884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).