N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide

C17H25FN2O — CID 65083100

IUPACN-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCCC(C)(C)CC2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(21)19-16-11-14(6-7-15(16)18)20-13-5-4-9-17(2,3)10-8-13/h6-7,11,13,20H,4-5,8-10H2,1-3H3,(H,19,21)
InChIKeyQYFBMOZYBORGDK-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.55
Rot. Bonds3

About N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide

N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide (PubChem CID 65083100) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
PubChem CID65083100
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCCC(C)(C)CC2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(21)19-16-11-14(6-7-15(16)18)20-13-5-4-9-17(2,3)10-8-13/h6-7,11,13,20H,4-5,8-10H2,1-3H3,(H,19,21)
InChIKeyQYFBMOZYBORGDK-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4,4-dimethylcycloheptyl)amino]-2-fluorobenzoic acid
CID 65084402
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
CID 112633780
4-[(4,4-dimethylcycloheptyl)amino]benzoic acid
CID 65083920
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide (CID 65083100) is N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NC2CCCC(C)(C)CC2)ccc1F.
What is the InChIKey of N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide?
The InChIKey is QYFBMOZYBORGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(21)19-16-11-14(6-7-15(16)18)20-13-5-4-9-17(2,3)10-8-13/h6-7,11,13,20H,4-5,8-10H2,1-3H3,(H,19,21).
What are the key properties of N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide?
N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide has a molecular weight of 292.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 65083100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).