2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide

C17H19ClN2O2 — CID 54810243

IUPAC2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CNc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-14-7-5-6-13(10-14)20-17(21)11-19-16-9-4-3-8-15(16)18/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyYEDPNQAQRMRILS-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide

2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 54810243) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID54810243
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CNc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-14-7-5-6-13(10-14)20-17(21)11-19-16-9-4-3-8-15(16)18/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyYEDPNQAQRMRILS-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
N-[4-chloro-3-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54830982
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide (CID 54810243) is 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(NC(=O)CNc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is YEDPNQAQRMRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(2)22-14-7-5-6-13(10-14)20-17(21)11-19-16-9-4-3-8-15(16)18/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54810243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).