4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide

C15H18Br2FNO — CID 103969816

IUPAC4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H18Br2FNO/c16-9-15(6-2-1-3-7-15)10-19-14(20)11-4-5-12(17)13(18)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyUEOYSXHVDZYOKE-UHFFFAOYSA-N
MW407.12 g/mol
LogP4.66
Rot. Bonds4

About 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide

4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide (PubChem CID 103969816) has the molecular formula C15H18Br2FNO and a molecular weight of 407.12 g/mol. Its IUPAC name is 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
PubChem CID103969816
Molecular FormulaC15H18Br2FNO
Molecular Weight407.12 g/mol
Exact Mass404.97
IUPAC Name4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H18Br2FNO/c16-9-15(6-2-1-3-7-15)10-19-14(20)11-4-5-12(17)13(18)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyUEOYSXHVDZYOKE-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.12
LogP ≤ 54.66
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

4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
4-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115455941
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-propan-2-ylbenzamide
CID 103969744
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide (CID 103969816) is 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide is O=C(NCC1(CBr)CCCCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide?
The InChIKey is UEOYSXHVDZYOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2FNO/c16-9-15(6-2-1-3-7-15)10-19-14(20)11-4-5-12(17)13(18)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide?
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide has a molecular weight of 407.12 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 103969816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).