1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide

C15H13Cl2N3O — CID 122146724

IUPAC1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1ncccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H13Cl2N3O/c16-11-4-3-10(9-12(11)17)15(5-1-6-15)13(21)20-14-18-7-2-8-19-14/h2-4,7-9H,1,5-6H2,(H,18,19,20,21)
InChIKeyPSRVJYWFUZSMDM-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.84
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide

1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide (PubChem CID 122146724) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
PubChem CID122146724
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1ncccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H13Cl2N3O/c16-11-4-3-10(9-12(11)17)15(5-1-6-15)13(21)20-14-18-7-2-8-19-14/h2-4,7-9H,1,5-6H2,(H,18,19,20,21)
InChIKeyPSRVJYWFUZSMDM-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119515328
1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 111779691
1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 134022555
N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119495916
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide
CID 138562428
1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095217
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698477

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide (CID 122146724) is 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide is O=C(Nc1ncccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide?
The InChIKey is PSRVJYWFUZSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-11-4-3-10(9-12(11)17)15(5-1-6-15)13(21)20-14-18-7-2-8-19-14/h2-4,7-9H,1,5-6H2,(H,18,19,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide?
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide has a molecular weight of 322.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 122146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).