1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C18H18ClNO2 — CID 2093952

IUPAC1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-16-8-2-13(3-9-16)12-20-17(21)18(10-11-18)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyCXSNUDZOFHSGQT-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 2093952) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID2093952
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H18ClNO2/c1-22-16-8-2-13(3-9-16)12-20-17(21)18(10-11-18)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyCXSNUDZOFHSGQT-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 2093952) is 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CXSNUDZOFHSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-22-16-8-2-13(3-9-16)12-20-17(21)18(10-11-18)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 2093952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).