5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide

C14H17BrClNO2 — CID 103690984

IUPAC5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCC(O)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H17BrClNO2/c15-10-4-5-13(16)12(7-10)14(19)17-8-9-2-1-3-11(18)6-9/h4-5,7,9,11,18H,1-3,6,8H2,(H,17,19)
InChIKeyBXDGHEJPIAZXCX-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide

5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 103690984) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID103690984
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCC(O)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H17BrClNO2/c15-10-4-5-13(16)12(7-10)14(19)17-8-9-2-1-3-11(18)6-9/h4-5,7,9,11,18H,1-3,6,8H2,(H,17,19)
InChIKeyBXDGHEJPIAZXCX-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 103690984) is 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCCC(O)C1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is BXDGHEJPIAZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-10-4-5-13(16)12(7-10)14(19)17-8-9-2-1-3-11(18)6-9/h4-5,7,9,11,18H,1-3,6,8H2,(H,17,19).
What are the key properties of 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide?
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 103690984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).