1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

C19H20ClNO3 — CID 110438432

IUPAC1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H20ClNO3/c1-23-14-6-8-15(9-7-14)24-13-12-21-18(22)19(10-11-19)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyIONRTEKCLUSKAY-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.58
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 110438432) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID110438432
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H20ClNO3/c1-23-14-6-8-15(9-7-14)24-13-12-21-18(22)19(10-11-19)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyIONRTEKCLUSKAY-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.58
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

1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
1-(6-fluoro-1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 113211110
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (CID 110438432) is 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is COc1ccc(OCCNC(=O)C2(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is IONRTEKCLUSKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-23-14-6-8-15(9-7-14)24-13-12-21-18(22)19(10-11-19)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,22).
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110438432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).