2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide

C16H21ClFNO — CID 173284973

IUPAC2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
SMILESO=C(NCC1CCCCCCC1)c1cccc(F)c1Cl
InChIInChI=1S/C16H21ClFNO/c17-15-13(9-6-10-14(15)18)16(20)19-11-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,19,20)
InChIKeyBNBPPYVGTWWQKF-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.57
Rot. Bonds3

About 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide

2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide (PubChem CID 173284973) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
PubChem CID173284973
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
SMILESO=C(NCC1CCCCCCC1)c1cccc(F)c1Cl
InChIInChI=1S/C16H21ClFNO/c17-15-13(9-6-10-14(15)18)16(20)19-11-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,19,20)
InChIKeyBNBPPYVGTWWQKF-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide (CID 173284973) is 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide is O=C(NCC1CCCCCCC1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide?
The InChIKey is BNBPPYVGTWWQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c17-15-13(9-6-10-14(15)18)16(20)19-11-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,19,20).
What are the key properties of 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide?
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide has a molecular weight of 297.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide is sourced from PubChem (CID 173284973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).