N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide

C19H16BrNO3 — CID 121269393

IUPACN-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
SMILESCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H16BrNO3/c1-21(12-15-11-16(20)8-9-17(15)22)19(23)14-6-4-13(5-7-14)18-3-2-10-24-18/h2-11,22H,12H2,1H3
InChIKeyPKFIWICFPLEXEC-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.69
Rot. Bonds4

About N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide

N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide (PubChem CID 121269393) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
PubChem CID121269393
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
SMILESCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H16BrNO3/c1-21(12-15-11-16(20)8-9-17(15)22)19(23)14-6-4-13(5-7-14)18-3-2-10-24-18/h2-11,22H,12H2,1H3
InChIKeyPKFIWICFPLEXEC-UHFFFAOYSA-N
XLogP4.69
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 121269426
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide
CID 123540454
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2-methylhex-2-enoic acid
CID 121269406
4-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylbenzamide
CID 115161027
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 24544466
6-[4-bromo-2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 121270399
2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propyl]cyclopropane-1-carboxylic acid
CID 121269401
N-[[2-(3-bromopropoxy)phenyl]methyl]-4-(furan-2-yl)-N-methylbenzamide;ethyl 2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetate;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetic acid;4-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 159916831

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide (CID 121269393) is N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide is CN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide?
The InChIKey is PKFIWICFPLEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-21(12-15-11-16(20)8-9-17(15)22)19(23)14-6-4-13(5-7-14)18-3-2-10-24-18/h2-11,22H,12H2,1H3.
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide?
N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide has a molecular weight of 386.25 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 121269393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).