N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide

C17H25FN2O2 — CID 119619869

IUPACN-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C17H25FN2O2/c1-22-15-10-6-9-14(18)16(15)17(21)20-12-11-19-13-7-4-2-3-5-8-13/h6,9-10,13,19H,2-5,7-8,11-12H2,1H3,(H,20,21)
InChIKeyITDCJHQKRCRWIH-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide

N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide (PubChem CID 119619869) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
PubChem CID119619869
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C17H25FN2O2/c1-22-15-10-6-9-14(18)16(15)17(21)20-12-11-19-13-7-4-2-3-5-8-13/h6,9-10,13,19H,2-5,7-8,11-12H2,1H3,(H,20,21)
InChIKeyITDCJHQKRCRWIH-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide (CID 119619869) is N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is ITDCJHQKRCRWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-22-15-10-6-9-14(18)16(15)17(21)20-12-11-19-13-7-4-2-3-5-8-13/h6,9-10,13,19H,2-5,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide?
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 308.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 119619869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).