N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide

C18H21ClN2O2 — CID 54830208

IUPACN-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1cccc(OC(C)C)c1
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-15-7-4-6-14(10-15)20-11-18(22)21-17-9-5-8-16(19)13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyHCLXHKKLFOZCAP-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.49
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide

N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide (PubChem CID 54830208) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
PubChem CID54830208
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1cccc(OC(C)C)c1
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-15-7-4-6-14(10-15)20-11-18(22)21-17-9-5-8-16(19)13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyHCLXHKKLFOZCAP-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

N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54830253
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide (CID 54830208) is N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide is Cc1c(Cl)cccc1NC(=O)CNc1cccc(OC(C)C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide?
The InChIKey is HCLXHKKLFOZCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(2)23-15-7-4-6-14(10-15)20-11-18(22)21-17-9-5-8-16(19)13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)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 N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54830208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).