N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide

C16H16BrNO3 — CID 114345344

IUPACN-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1cccc(O)c1O
InChIInChI=1S/C16H16BrNO3/c17-9-3-5-11-4-1-6-12(10-11)18-16(21)13-7-2-8-14(19)15(13)20/h1-2,4,6-8,10,19-20H,3,5,9H2,(H,18,21)
InChIKeyKCDYONORTKZWFE-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.68
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide

N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide (PubChem CID 114345344) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
PubChem CID114345344
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1cccc(O)c1O
InChIInChI=1S/C16H16BrNO3/c17-9-3-5-11-4-1-6-12(10-11)18-16(21)13-7-2-8-14(19)15(13)20/h1-2,4,6-8,10,19-20H,3,5,9H2,(H,18,21)
InChIKeyKCDYONORTKZWFE-UHFFFAOYSA-N
XLogP3.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
2,5-dibromo-N-[3-(3-bromopropyl)phenyl]thiophene-3-carboxamide
CID 107966238
N-[4-(2-bromoethyl)phenyl]-2,3-dihydroxybenzamide
CID 114345303
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
CID 107994161
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide (CID 114345344) is N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide is O=C(Nc1cccc(CCCBr)c1)c1cccc(O)c1O.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide?
The InChIKey is KCDYONORTKZWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-9-3-5-11-4-1-6-12(10-11)18-16(21)13-7-2-8-14(19)15(13)20/h1-2,4,6-8,10,19-20H,3,5,9H2,(H,18,21).
What are the key properties of N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide?
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114345344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).