N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide

C17H16BrN3O4 — CID 55816021

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H16BrN3O4/c18-12-5-6-14(22)13(7-12)17(25)20-8-10-1-3-11(4-2-10)16(24)21-9-15(19)23/h1-7,22H,8-9H2,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyKMOBOLWOOTYDJQ-UHFFFAOYSA-N
MW406.24 g/mol
LogP1.30
Rot. Bonds6

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide (PubChem CID 55816021) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
PubChem CID55816021
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H16BrN3O4/c18-12-5-6-14(22)13(7-12)17(25)20-8-10-1-3-11(4-2-10)16(24)21-9-15(19)23/h1-7,22H,8-9H2,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyKMOBOLWOOTYDJQ-UHFFFAOYSA-N
XLogP1.30
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 46494521
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
5-bromo-2-hydroxy-N-phenacylbenzamide
CID 106737181
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
4-bromo-N-[(4-carbamothioylphenyl)methyl]-2-methylbenzamide
CID 62310631
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide (CID 55816021) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide?
The InChIKey is KMOBOLWOOTYDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c18-12-5-6-14(22)13(7-12)17(25)20-8-10-1-3-11(4-2-10)16(24)21-9-15(19)23/h1-7,22H,8-9H2,(H2,19,23)(H,20,25)(H,21,24).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide has a molecular weight of 406.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 55816021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).