2-(3-chloro-4-propan-2-yloxyanilino)acetamide

C11H15ClN2O2 — CID 96674678

IUPAC2-(3-chloro-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(NCC(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(2)16-10-4-3-8(5-9(10)12)14-6-11(13)15/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyLLECDKPXVCSTTF-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.02
Rot. Bonds5

About 2-(3-chloro-4-propan-2-yloxyanilino)acetamide

2-(3-chloro-4-propan-2-yloxyanilino)acetamide (PubChem CID 96674678) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyanilino)acetamide
PubChem CID96674678
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(3-chloro-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(NCC(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(2)16-10-4-3-8(5-9(10)12)14-6-11(13)15/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyLLECDKPXVCSTTF-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
3-chloro-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445695
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
3-chloro-N-(3-methoxy-2-methylpropyl)-4-propan-2-yloxyaniline
CID 116501045
N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline
CID 66417261
6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
CID 43712013
3-chloro-N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 43727125
3-chloro-4-propan-2-yloxy-N-(pyridin-4-ylmethyl)aniline
CID 43727132
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111925980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyanilino)acetamide (CID 96674678) is 2-(3-chloro-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(NCC(N)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyanilino)acetamide?
The InChIKey is LLECDKPXVCSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(2)16-10-4-3-8(5-9(10)12)14-6-11(13)15/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-(3-chloro-4-propan-2-yloxyanilino)acetamide?
2-(3-chloro-4-propan-2-yloxyanilino)acetamide has a molecular weight of 242.71 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 96674678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).