4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide

C14H17BrFNO2 — CID 106122391

IUPAC4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H17BrFNO2/c15-12-6-3-10(7-13(12)16)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)
InChIKeyTWTRUOAWJOCYTQ-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.87
Rot. Bonds3

About 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide

4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106122391) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
PubChem CID106122391
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H17BrFNO2/c15-12-6-3-10(7-13(12)16)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)
InChIKeyTWTRUOAWJOCYTQ-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

4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 106122391) is 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCC(O)CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is TWTRUOAWJOCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-12-6-3-10(7-13(12)16)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 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
4-bromo-3-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 4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106122391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).