N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide

C18H18ClNO3 — CID 112830319

IUPACN-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OCCOc2ccc(Cl)cc2)c1)C1CC1
InChIInChI=1S/C18H18ClNO3/c19-14-6-8-16(9-7-14)22-10-11-23-17-3-1-2-15(12-17)20-18(21)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)
InChIKeyWOVCDPAQBYZVCM-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.15
Rot. Bonds7

About N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 112830319) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID112830319
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OCCOc2ccc(Cl)cc2)c1)C1CC1
InChIInChI=1S/C18H18ClNO3/c19-14-6-8-16(9-7-14)22-10-11-23-17-3-1-2-15(12-17)20-18(21)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)
InChIKeyWOVCDPAQBYZVCM-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 60522384
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 110604617
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate
CID 32961243
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide (CID 112830319) is N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(OCCOc2ccc(Cl)cc2)c1)C1CC1.
What is the InChIKey of N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is WOVCDPAQBYZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-14-6-8-16(9-7-14)22-10-11-23-17-3-1-2-15(12-17)20-18(21)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21).
What are the key properties of N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112830319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).