2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide

C17H15Cl2F2N5O2 — CID 129032983

IUPAC2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide
SMILESO=C(NNC(=O)C(F)F)c1cnc(NC2(c3ccc(Cl)cc3Cl)CCC2)nc1
InChIInChI=1S/C17H15Cl2F2N5O2/c18-10-2-3-11(12(19)6-10)17(4-1-5-17)24-16-22-7-9(8-23-16)14(27)25-26-15(28)13(20)21/h2-3,6-8,13H,1,4-5H2,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyNISBUFPLIPYTNK-UHFFFAOYSA-N
MW430.24 g/mol
LogP3.30
Rot. Bonds5

About 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide

2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide (PubChem CID 129032983) has the molecular formula C17H15Cl2F2N5O2 and a molecular weight of 430.24 g/mol. Its IUPAC name is 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide
PubChem CID129032983
Molecular FormulaC17H15Cl2F2N5O2
Molecular Weight430.24 g/mol
Exact Mass429.06
IUPAC Name2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide
SMILESO=C(NNC(=O)C(F)F)c1cnc(NC2(c3ccc(Cl)cc3Cl)CCC2)nc1
InChIInChI=1S/C17H15Cl2F2N5O2/c18-10-2-3-11(12(19)6-10)17(4-1-5-17)24-16-22-7-9(8-23-16)14(27)25-26-15(28)13(20)21/h2-3,6-8,13H,1,4-5H2,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyNISBUFPLIPYTNK-UHFFFAOYSA-N
XLogP3.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(5-chloro-2-fluorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide
CID 129032833
2-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide;ethane
CID 145295882
N'-(2,2-difluoroacetyl)-2-[[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]amino]pyrimidine-5-carbohydrazide;ethane
CID 145295819
2-[[1-(2-chlorophenyl)cyclobutyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide;ethane
CID 145295624
2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129033067
1-[2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidin-5-yl]ethanone
CID 163957565
N'-(3,3-difluoroprop-1-en-2-yl)-2-[[1-(4-methylphenyl)cyclobutyl]amino]pyrimidine-5-carbohydrazide
CID 129056588
2-[[1-(3-chloro-4-fluorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129032907
2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129033045
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
ethyl 2-[[1-(2,4-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033012
N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155412835

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide?
The IUPAC name of 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide (CID 129032983) is 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide is O=C(NNC(=O)C(F)F)c1cnc(NC2(c3ccc(Cl)cc3Cl)CCC2)nc1.
What is the InChIKey of 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide?
The InChIKey is NISBUFPLIPYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2N5O2/c18-10-2-3-11(12(19)6-10)17(4-1-5-17)24-16-22-7-9(8-23-16)14(27)25-26-15(28)13(20)21/h2-3,6-8,13H,1,4-5H2,(H,25,27)(H,26,28)(H,22,23,24).
What are the key properties of 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide?
2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide has a molecular weight of 430.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 129032983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).