2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide

C18H19ClN2O2 — CID 108992910

IUPAC2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccc(OCc2ccc(Cl)cc2)cc1)NC1CC1
InChIInChI=1S/C18H19ClN2O2/c19-14-3-1-13(2-4-14)12-23-17-9-7-15(8-10-17)20-11-18(22)21-16-5-6-16/h1-4,7-10,16,20H,5-6,11-12H2,(H,21,22)
InChIKeyFCWNUYZTBPEGNX-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide

2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide (PubChem CID 108992910) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
PubChem CID108992910
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccc(OCc2ccc(Cl)cc2)cc1)NC1CC1
InChIInChI=1S/C18H19ClN2O2/c19-14-3-1-13(2-4-14)12-23-17-9-7-15(8-10-17)20-11-18(22)21-16-5-6-16/h1-4,7-10,16,20H,5-6,11-12H2,(H,21,22)
InChIKeyFCWNUYZTBPEGNX-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.61
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

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 17413792
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247631

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide (CID 108992910) is 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide is O=C(CNc1ccc(OCc2ccc(Cl)cc2)cc1)NC1CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide?
The InChIKey is FCWNUYZTBPEGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-3-1-13(2-4-14)12-23-17-9-7-15(8-10-17)20-11-18(22)21-16-5-6-16/h1-4,7-10,16,20H,5-6,11-12H2,(H,21,22).
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide?
2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide has a molecular weight of 330.82 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide is sourced from PubChem (CID 108992910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).