N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine

C11H12ClFN2 — CID 153341461

IUPACN'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine
SMILESNC(Nc1ccc(Cl)cc1F)=C1CCC1
InChIInChI=1S/C11H12ClFN2/c12-8-4-5-10(9(13)6-8)15-11(14)7-2-1-3-7/h4-6,15H,1-3,14H2
InChIKeyKGCZPKQNFGRTMF-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.25
Rot. Bonds2

About N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine

N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine (PubChem CID 153341461) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine
PubChem CID153341461
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC NameN'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine
SMILESNC(Nc1ccc(Cl)cc1F)=C1CCC1
InChIInChI=1S/C11H12ClFN2/c12-8-4-5-10(9(13)6-8)15-11(14)7-2-1-3-7/h4-6,15H,1-3,14H2
InChIKeyKGCZPKQNFGRTMF-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
3-[[2-[(4-chloro-2-fluorophenyl)carbamoyl]cyclohexene-1-carbonyl]amino]propanoic acid
CID 12959725
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
CID 87344821
N-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2683542

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine (CID 153341461) is N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine is NC(Nc1ccc(Cl)cc1F)=C1CCC1.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine?
The InChIKey is KGCZPKQNFGRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c12-8-4-5-10(9(13)6-8)15-11(14)7-2-1-3-7/h4-6,15H,1-3,14H2.
What are the key properties of N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine?
N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine has a molecular weight of 226.68 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-1-cyclobutylidenemethanediamine is sourced from PubChem (CID 153341461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).