N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide

C15H16ClFN2O — CID 107528618

IUPACN-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(F)ccc2Cl)CCCCCC1
InChIInChI=1S/C15H16ClFN2O/c16-12-6-5-11(17)9-13(12)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyIZXXLDCKXAMZSW-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.28
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide

N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide (PubChem CID 107528618) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
PubChem CID107528618
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(F)ccc2Cl)CCCCCC1
InChIInChI=1S/C15H16ClFN2O/c16-12-6-5-11(17)9-13(12)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyIZXXLDCKXAMZSW-UHFFFAOYSA-N
XLogP4.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
CID 113255375
N-(2-chloro-5-nitrophenyl)-1-cyanocyclobutane-1-carboxamide
CID 78994923
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 63037709
N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107366211

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide (CID 107528618) is N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide is N#CC1(C(=O)Nc2cc(F)ccc2Cl)CCCCCC1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide?
The InChIKey is IZXXLDCKXAMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c16-12-6-5-11(17)9-13(12)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,19,20).
What are the key properties of N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide?
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide is sourced from PubChem (CID 107528618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).