3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide

C15H14Br2N2O2 — CID 97326605

IUPAC3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@H](c1ccncc1)N(C)C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-9(10-3-5-18-6-4-10)19(2)15(21)11-7-12(16)14(20)13(17)8-11/h3-9,20H,1-2H3/t9-/m1/s1
InChIKeyKGFDNQUIKMVEOM-SECBINFHSA-N
MW414.10 g/mol
LogP4.15
Rot. Bonds3

About 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide

3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 97326605) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID97326605
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@H](c1ccncc1)N(C)C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-9(10-3-5-18-6-4-10)19(2)15(21)11-7-12(16)14(20)13(17)8-11/h3-9,20H,1-2H3/t9-/m1/s1
InChIKeyKGFDNQUIKMVEOM-SECBINFHSA-N
XLogP4.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
N-methyl-N-(1-pyridin-4-ylethyl)-7,8-dihydronaphthalene-2-carboxamide
CID 102563215
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 61115899
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 97314515
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 97326605) is 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide is C[C@H](c1ccncc1)N(C)C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is KGFDNQUIKMVEOM-SECBINFHSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-9(10-3-5-18-6-4-10)19(2)15(21)11-7-12(16)14(20)13(17)8-11/h3-9,20H,1-2H3/t9-/m1/s1.
What are the key properties of 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 414.10 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 97326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).