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

C18H18ClNO2 — CID 56821672

IUPAC1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1CO)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18ClNO2/c19-16-7-3-6-15(10-16)18(8-9-18)17(22)20-11-13-4-1-2-5-14(13)12-21/h1-7,10,21H,8-9,11-12H2,(H,20,22)
InChIKeyJSGVODDUYFNSFP-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.18
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 56821672) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID56821672
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1CO)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18ClNO2/c19-16-7-3-6-15(10-16)18(8-9-18)17(22)20-11-13-4-1-2-5-14(13)12-21/h1-7,10,21H,8-9,11-12H2,(H,20,22)
InChIKeyJSGVODDUYFNSFP-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110438164
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N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
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CID 119547500
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
CID 35694725
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119509968
1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 86981034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 56821672) is 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccccc1CO)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is JSGVODDUYFNSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-16-7-3-6-15(10-16)18(8-9-18)17(22)20-11-13-4-1-2-5-14(13)12-21/h1-7,10,21H,8-9,11-12H2,(H,20,22).
What are the key properties of 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56821672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).