2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid

C14H16ClNO4 — CID 60952702

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C1CC1C(=O)O
InChIInChI=1S/C14H16ClNO4/c1-16(13(17)11-8-12(11)14(18)19)6-7-20-10-4-2-9(15)3-5-10/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyVEHYRABMMCNOFR-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.90
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60952702) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60952702
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C1CC1C(=O)O
InChIInChI=1S/C14H16ClNO4/c1-16(13(17)11-8-12(11)14(18)19)6-7-20-10-4-2-9(15)3-5-10/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyVEHYRABMMCNOFR-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
CID 66235220
N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
CID 114423293
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214201
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
N,4-dimethyl-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 63714789
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
1-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60952702) is 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid is CN(CCOc1ccc(Cl)cc1)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VEHYRABMMCNOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-16(13(17)11-8-12(11)14(18)19)6-7-20-10-4-2-9(15)3-5-10/h2-5,11-12H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60952702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).