4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide

C22H27FN2O — CID 67697531

IUPAC4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC2CCCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-25(21-14-12-19(23)13-15-21)22(26)18-10-8-17(9-11-18)16-24-20-6-4-2-3-5-7-20/h8-15,20,24H,2-7,16H2,1H3
InChIKeyCNJJYDZCZBGCHC-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.91
Rot. Bonds5

About 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide

4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 67697531) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide
PubChem CID67697531
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC2CCCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-25(21-14-12-19(23)13-15-21)22(26)18-10-8-17(9-11-18)16-24-20-6-4-2-3-5-7-20/h8-15,20,24H,2-7,16H2,1H3
InChIKeyCNJJYDZCZBGCHC-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
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N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-4-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 139943938
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
N-[(1R,2S)-2-[[4-(diethylamino)phenyl]methylamino]cyclohexyl]-4-fluorobenzamide
CID 90644987
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
2-[[4-[2-[4-[(cyclopentylamino)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413183
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367

Frequently Asked Questions

What is the IUPAC name of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide (CID 67697531) is 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(CNC2CCCCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is CNJJYDZCZBGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-25(21-14-12-19(23)13-15-21)22(26)18-10-8-17(9-11-18)16-24-20-6-4-2-3-5-7-20/h8-15,20,24H,2-7,16H2,1H3.
What are the key properties of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 67697531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).