2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

C21H24ClNO2 — CID 55748466

IUPAC2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)C2CC2c2ccccc2Cl)c1
InChIInChI=1S/C21H24ClNO2/c1-14(2)25-13-16-7-5-6-15(10-16)12-23-21(24)19-11-18(19)17-8-3-4-9-20(17)22/h3-10,14,18-19H,11-13H2,1-2H3,(H,23,24)
InChIKeyTWAGHDJMNLZGBG-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.68
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55748466) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID55748466
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)C2CC2c2ccccc2Cl)c1
InChIInChI=1S/C21H24ClNO2/c1-14(2)25-13-16-7-5-6-15(10-16)12-23-21(24)19-11-18(19)17-8-3-4-9-20(17)22/h3-10,14,18-19H,11-13H2,1-2H3,(H,23,24)
InChIKeyTWAGHDJMNLZGBG-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55898897
2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 134009951
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 129424865
N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 47058350
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694375

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 55748466) is 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is CC(C)OCc1cccc(CNC(=O)C2CC2c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is TWAGHDJMNLZGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-14(2)25-13-16-7-5-6-15(10-16)12-23-21(24)19-11-18(19)17-8-3-4-9-20(17)22/h3-10,14,18-19H,11-13H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55748466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).