2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide

C14H17BrFNO2 — CID 106123468

IUPAC2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO2/c15-13-7-10(16)3-6-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19)
InChIKeyNHTVWGKDMUSIBV-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.87
Rot. Bonds3

About 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide

2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106123468) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
PubChem CID106123468
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO2/c15-13-7-10(16)3-6-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19)
InChIKeyNHTVWGKDMUSIBV-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (Z)-2-(2-bromo-4-fluorophenyl)-3-[(4-hydroxycyclohexyl)methylamino]but-2-enoate
CID 167042183
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-amino-4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 106123468) is 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCC(O)CC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is NHTVWGKDMUSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-13-7-10(16)3-6-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19).
What are the key properties of 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 330.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106123468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).