2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide

C14H17Br2NO2 — CID 103883040

IUPAC2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2NO2/c15-10-4-5-11(12(16)8-10)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18)
InChIKeyAEKMSCQCQYIDSU-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.64
Rot. Bonds3

About 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide

2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 103883040) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID103883040
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2NO2/c15-10-4-5-11(12(16)8-10)13(18)17-9-14(19)6-2-1-3-7-14/h4-5,8,19H,1-3,6-7,9H2,(H,17,18)
InChIKeyAEKMSCQCQYIDSU-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 103883040) is 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1(O)CCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is AEKMSCQCQYIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c15-10-4-5-11(12(16)8-10)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 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide?
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 391.10 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 103883040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).