N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide

C16H22FNO — CID 113268593

IUPACN-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C16H22FNO/c1-12-11-13(17)9-10-15(12)16(19)18(2)14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3
InChIKeyTUOFVRCLRVWMCK-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.93
Rot. Bonds2

About N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide

N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide (PubChem CID 113268593) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
PubChem CID113268593
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C16H22FNO/c1-12-11-13(17)9-10-15(12)16(19)18(2)14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3
InChIKeyTUOFVRCLRVWMCK-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-fluoro-N,2-dimethylbenzamide
CID 134704150
3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid
CID 154763620
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide?
The IUPAC name of N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide (CID 113268593) is N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide is Cc1cc(F)ccc1C(=O)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide?
The InChIKey is TUOFVRCLRVWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-11-13(17)9-10-15(12)16(19)18(2)14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide?
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide has a molecular weight of 263.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 113268593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).