3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide

C18H18ClNO2 — CID 42265617

IUPAC3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-16-7-5-14(6-8-16)18(9-10-18)12-20-17(21)13-3-2-4-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyKFFSVYCNOULVAJ-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.81
Rot. Bonds5

About 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide

3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide (PubChem CID 42265617) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
PubChem CID42265617
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-16-7-5-14(6-8-16)18(9-10-18)12-20-17(21)13-3-2-4-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyKFFSVYCNOULVAJ-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide (CID 42265617) is 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
The InChIKey is KFFSVYCNOULVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-22-16-7-5-14(6-8-16)18(9-10-18)12-20-17(21)13-3-2-4-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide has a molecular weight of 315.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 42265617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).