5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide

C16H22ClFN2O — CID 81486156

IUPAC5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
SMILESO=C(NCCNC1CCCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H22ClFN2O/c17-12-7-8-15(18)14(11-12)16(21)20-10-9-19-13-5-3-1-2-4-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,20,21)
InChIKeyGPBRDQZTFJWDSK-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.52
Rot. Bonds5

About 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide

5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide (PubChem CID 81486156) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
PubChem CID81486156
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
SMILESO=C(NCCNC1CCCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H22ClFN2O/c17-12-7-8-15(18)14(11-12)16(21)20-10-9-19-13-5-3-1-2-4-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,20,21)
InChIKeyGPBRDQZTFJWDSK-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
4-chloro-N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide
CID 119619506
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119620649
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide (CID 81486156) is 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide is O=C(NCCNC1CCCCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide?
The InChIKey is GPBRDQZTFJWDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c17-12-7-8-15(18)14(11-12)16(21)20-10-9-19-13-5-3-1-2-4-6-13/h7-8,11,13,19H,1-6,9-10H2,(H,20,21).
What are the key properties of 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide?
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide has a molecular weight of 312.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 81486156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).