2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide

C14H17BrClNO2 — CID 103712029

IUPAC2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c15-12-5-4-10(16)8-11(12)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18)
InChIKeyRQGDOEIJDZGBQI-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.53
Rot. Bonds3

About 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide

2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 103712029) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID103712029
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClNO2/c15-12-5-4-10(16)8-11(12)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18)
InChIKeyRQGDOEIJDZGBQI-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 64868492
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
1-[(2-bromo-5-chloroanilino)methyl]cyclohexan-1-ol
CID 81280448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 103712029) is 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1(O)CCCCC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is RQGDOEIJDZGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-12-5-4-10(16)8-11(12)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide?
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 103712029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).