N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide

C14H16BrClFNO — CID 114312152

IUPACN-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
SMILESO=C(NCC1CCCCC1Br)c1cccc(F)c1Cl
InChIInChI=1S/C14H16BrClFNO/c15-11-6-2-1-4-9(11)8-18-14(19)10-5-3-7-12(17)13(10)16/h3,5,7,9,11H,1-2,4,6,8H2,(H,18,19)
InChIKeyULWYHDLQLWCOKE-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.16
Rot. Bonds3

About N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide

N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide (PubChem CID 114312152) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
PubChem CID114312152
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
SMILESO=C(NCC1CCCCC1Br)c1cccc(F)c1Cl
InChIInChI=1S/C14H16BrClFNO/c15-11-6-2-1-4-9(11)8-18-14(19)10-5-3-7-12(17)13(10)16/h3,5,7,9,11H,1-2,4,6,8H2,(H,18,19)
InChIKeyULWYHDLQLWCOKE-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-[(3-bromocyclopentyl)methyl]-2-chloro-3-fluorobenzamide
CID 114147208
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-[(2-bromocyclohexyl)methyl]quinoxaline-5-carboxamide
CID 104615763
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107966136
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107016888

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide (CID 114312152) is N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide is O=C(NCC1CCCCC1Br)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide?
The InChIKey is ULWYHDLQLWCOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-11-6-2-1-4-9(11)8-18-14(19)10-5-3-7-12(17)13(10)16/h3,5,7,9,11H,1-2,4,6,8H2,(H,18,19).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide?
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide has a molecular weight of 348.64 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 114312152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).