5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide

C16H23FN2O — CID 65084046

IUPAC5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
SMILESCCC1CCCC(Nc2ccc(F)c(C(N)=O)c2)CC1
InChIInChI=1S/C16H23FN2O/c1-2-11-4-3-5-12(7-6-11)19-13-8-9-15(17)14(10-13)16(18)20/h8-12,19H,2-7H2,1H3,(H2,18,20)
InChIKeyUSYDWZSHNLLGPB-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.70
Rot. Bonds4

About 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide

5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide (PubChem CID 65084046) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
PubChem CID65084046
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
SMILESCCC1CCCC(Nc2ccc(F)c(C(N)=O)c2)CC1
InChIInChI=1S/C16H23FN2O/c1-2-11-4-3-5-12(7-6-11)19-13-8-9-15(17)14(10-13)16(18)20/h8-12,19H,2-7H2,1H3,(H2,18,20)
InChIKeyUSYDWZSHNLLGPB-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139
4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 113319767
2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 64759606
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
CID 65084031
methyl 3-[(4-ethylcycloheptyl)amino]-4-fluorobenzoate
CID 65084484
methyl 5-[(4-aminocyclohexyl)amino]-2-fluorobenzoate
CID 79730467
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide?
The IUPAC name of 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide (CID 65084046) is 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide?
The canonical SMILES for 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide is CCC1CCCC(Nc2ccc(F)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide?
The InChIKey is USYDWZSHNLLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-11-4-3-5-12(7-6-11)19-13-8-9-15(17)14(10-13)16(18)20/h8-12,19H,2-7H2,1H3,(H2,18,20).
What are the key properties of 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide?
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide has a molecular weight of 278.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 65084046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).