N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide

C12H12ClF2NO2 — CID 155823143

IUPACN-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(F)(F)C2)cc1Cl
InChIInChI=1S/C12H12ClF2NO2/c1-18-10-3-2-8(4-9(10)13)16-11(17)7-5-12(14,15)6-7/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyHQAJHLKYBQCXAR-UHFFFAOYSA-N
MW275.68 g/mol
LogP3.33
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 155823143) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID155823143
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(F)(F)C2)cc1Cl
InChIInChI=1S/C12H12ClF2NO2/c1-18-10-3-2-8(4-9(10)13)16-11(17)7-5-12(14,15)6-7/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyHQAJHLKYBQCXAR-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide (CID 155823143) is N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide is COc1ccc(NC(=O)C2CC(F)(F)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is HQAJHLKYBQCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c1-18-10-3-2-8(4-9(10)13)16-11(17)7-5-12(14,15)6-7/h2-4,7H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 275.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 155823143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).