N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide

C15H20ClNO3 — CID 54403626

IUPACN-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(OCCNC(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(2)20-12-5-6-14(13(16)9-12)19-8-7-17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyVPDUKKJXFLGDDM-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide

N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide (PubChem CID 54403626) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
PubChem CID54403626
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(OCCNC(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(2)20-12-5-6-14(13(16)9-12)19-8-7-17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyVPDUKKJXFLGDDM-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.03
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

4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
propan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 18966731
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 142503787
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
CID 108541568
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112828824
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
1-bromopropan-2-yl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 54139372
N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide
CID 71423229
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide (CID 54403626) is N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide is CC(C)Oc1ccc(OCCNC(=O)C2CC2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide?
The InChIKey is VPDUKKJXFLGDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(2)20-12-5-6-14(13(16)9-12)19-8-7-17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide?
N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide has a molecular weight of 297.78 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 54403626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).