N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide

C16H16BrNO2 — CID 80663058

IUPACN-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
SMILESO=C(c1ccc(O)cc1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-10-11-18(12-13-4-2-1-3-5-13)16(20)14-6-8-15(19)9-7-14/h1-9,19H,10-12H2
InChIKeyNCWMUUXHKMLPCS-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide

N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide (PubChem CID 80663058) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
PubChem CID80663058
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
SMILESO=C(c1ccc(O)cc1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-10-11-18(12-13-4-2-1-3-5-13)16(20)14-6-8-15(19)9-7-14/h1-9,19H,10-12H2
InChIKeyNCWMUUXHKMLPCS-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-bromoethyl)-3,5-dihydroxybenzamide
CID 107705893
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-benzyl-N-(2-bromoethyl)-3-chlorothiophene-2-carboxamide
CID 80662656
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
CID 80655955
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
N-benzyl-N-(2-bromoethyl)-2-methylpyridine-3-carboxamide
CID 80661556

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide (CID 80663058) is N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide is O=C(c1ccc(O)cc1)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide?
The InChIKey is NCWMUUXHKMLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-10-11-18(12-13-4-2-1-3-5-13)16(20)14-6-8-15(19)9-7-14/h1-9,19H,10-12H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide?
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide is sourced from PubChem (CID 80663058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).