N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide

C15H13Cl2N3O — CID 121377101

IUPACN-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1ncccn1
InChIInChI=1S/C15H13Cl2N3O/c16-9-2-3-10(12(17)8-9)11-4-5-13(11)20-15(21)14-18-6-1-7-19-14/h1-3,6-8,11,13H,4-5H2,(H,20,21)/t11-,13-/m0/s1
InChIKeyRCCCMIFASJEZFH-AAEUAGOBSA-N
MW322.20 g/mol
LogP3.46
Rot. Bonds3

About N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide

N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide (PubChem CID 121377101) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
PubChem CID121377101
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1ncccn1
InChIInChI=1S/C15H13Cl2N3O/c16-9-2-3-10(12(17)8-9)11-4-5-13(11)20-15(21)14-18-6-1-7-19-14/h1-3,6-8,11,13H,4-5H2,(H,20,21)/t11-,13-/m0/s1
InChIKeyRCCCMIFASJEZFH-AAEUAGOBSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
CID 121377181
N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]pyrimidine-2-carboxamide
CID 121377064
N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
CID 121382514
2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
CID 121377084
2-chloro-N-[(1S,2R)-2-(2-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491090
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 136581557
2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
CID 125490711
N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 123867173
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 138017043
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
cis-(1R,2R)-N-butan-2-yl-2-(2,4-dichlorophenyl)cyclobutan-1-amine
CID 175527113
3-chloro-N-[2-(2,4-dichlorophenyl)cyclobutyl]-N-propylpyridine-2-carboxamide
CID 175217650

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide (CID 121377101) is N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide is O=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1ncccn1.
What is the InChIKey of N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
The InChIKey is RCCCMIFASJEZFH-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-9-2-3-10(12(17)8-9)11-4-5-13(11)20-15(21)14-18-6-1-7-19-14/h1-3,6-8,11,13H,4-5H2,(H,20,21)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide?
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121377101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).