2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide

C17H19ClN2O2 — CID 54809371

IUPAC2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-16-8-6-14(7-9-16)20-17(21)11-19-15-5-3-4-13(18)10-15/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyNBCZMXUBEVNMNU-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.18
Rot. Bonds6

About 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide

2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 54809371) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID54809371
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-16-8-6-14(7-9-16)20-17(21)11-19-15-5-3-4-13(18)10-15/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyNBCZMXUBEVNMNU-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-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide (CID 54809371) is 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is NBCZMXUBEVNMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(2)22-16-8-6-14(7-9-16)20-17(21)11-19-15-5-3-4-13(18)10-15/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(3-chloroanilino)-N-(4-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-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54809371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).