N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide

C16H19FN2O — CID 62514137

IUPACN-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(C#N)CCCCCC2)c1
InChIInChI=1S/C16H19FN2O/c1-12-6-7-14(17)13(10-12)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyAMQHXHBEMZZRQB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.48
Rot. Bonds2

About N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide

N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide (PubChem CID 62514137) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
PubChem CID62514137
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(C#N)CCCCCC2)c1
InChIInChI=1S/C16H19FN2O/c1-12-6-7-14(17)13(10-12)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyAMQHXHBEMZZRQB-UHFFFAOYSA-N
XLogP3.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-cyanothiolan-3-yl)-2-fluoro-4-methylbenzamide
CID 79788302
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
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4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
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CID 113272385
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
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5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
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N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
CID 61150971
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
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CID 60968532

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide (CID 62514137) is N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2(C#N)CCCCCC2)c1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide?
The InChIKey is AMQHXHBEMZZRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12-6-7-14(17)13(10-12)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide?
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide has a molecular weight of 274.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62514137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).