1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

C23H22ClNO3 — CID 55660956

IUPAC1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22ClNO3/c24-20-8-6-19(7-9-20)23(10-11-23)22(26)25-14-17-3-1-4-18(13-17)15-27-16-21-5-2-12-28-21/h1-9,12-13H,10-11,14-16H2,(H,25,26)
InChIKeyLGPIKLJHFLHHHF-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.00
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55660956) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID55660956
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22ClNO3/c24-20-8-6-19(7-9-20)23(10-11-23)22(26)25-14-17-3-1-4-18(13-17)15-27-16-21-5-2-12-28-21/h1-9,12-13H,10-11,14-16H2,(H,25,26)
InChIKeyLGPIKLJHFLHHHF-UHFFFAOYSA-N
XLogP5.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55912973
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55660962
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 55660956) is 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cccc(COCc2ccco2)c1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is LGPIKLJHFLHHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c24-20-8-6-19(7-9-20)23(10-11-23)22(26)25-14-17-3-1-4-18(13-17)15-27-16-21-5-2-12-28-21/h1-9,12-13H,10-11,14-16H2,(H,25,26).
What are the key properties of 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55660956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).