N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide

C22H26Br2N2O4 — CID 70553196

IUPACN-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(Br)cc(Br)cc2CNCC2CCC(O)CC2)ccc1O
InChIInChI=1S/C22H26Br2N2O4/c1-30-20-9-14(4-7-19(20)28)22(29)26-21-15(8-16(23)10-18(21)24)12-25-11-13-2-5-17(27)6-3-13/h4,7-10,13,17,25,27-28H,2-3,5-6,11-12H2,1H3,(H,26,29)
InChIKeyWGWSWPQECAWYQX-UHFFFAOYSA-N
MW542.27 g/mol
LogP4.82
Rot. Bonds7

About N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide

N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide (PubChem CID 70553196) has the molecular formula C22H26Br2N2O4 and a molecular weight of 542.27 g/mol. Its IUPAC name is N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide
PubChem CID70553196
Molecular FormulaC22H26Br2N2O4
Molecular Weight542.27 g/mol
Exact Mass540.03
IUPAC NameN-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(Br)cc(Br)cc2CNCC2CCC(O)CC2)ccc1O
InChIInChI=1S/C22H26Br2N2O4/c1-30-20-9-14(4-7-19(20)28)22(29)26-21-15(8-16(23)10-18(21)24)12-25-11-13-2-5-17(27)6-3-13/h4,7-10,13,17,25,27-28H,2-3,5-6,11-12H2,1H3,(H,26,29)
InChIKeyWGWSWPQECAWYQX-UHFFFAOYSA-N
XLogP4.82
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.27
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide with MolForge

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Related Compounds

N-[2,4-dibromo-6-[[[(1S,3S)-3-hydroxycyclohexyl]-methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide
CID 70549914
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
N-[2,4-dibromo-6-[(4-hydroxycyclohexyl)iminomethyl]phenyl]-3,4-dimethoxybenzamide
CID 174983508
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
4-[[(3,5-dibromo-2-ethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106127186
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 166221083

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide (CID 70553196) is N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)Nc2c(Br)cc(Br)cc2CNCC2CCC(O)CC2)ccc1O.
What is the InChIKey of N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide?
The InChIKey is WGWSWPQECAWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Br2N2O4/c1-30-20-9-14(4-7-19(20)28)22(29)26-21-15(8-16(23)10-18(21)24)12-25-11-13-2-5-17(27)6-3-13/h4,7-10,13,17,25,27-28H,2-3,5-6,11-12H2,1H3,(H,26,29).
What are the key properties of N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide?
N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide has a molecular weight of 542.27 g/mol, XLogP of 4.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 70553196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).