N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide

C11H13BrN2O3 — CID 106165114

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)C(N)=O)c(Br)c1
InChIInChI=1S/C11H13BrN2O3/c1-6-2-3-7(8(12)4-6)11(17)14-5-9(15)10(13)16/h2-4,9,15H,5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyYZZJURKDSXALPV-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.33
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide (PubChem CID 106165114) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
PubChem CID106165114
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)C(N)=O)c(Br)c1
InChIInChI=1S/C11H13BrN2O3/c1-6-2-3-7(8(12)4-6)11(17)14-5-9(15)10(13)16/h2-4,9,15H,5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyYZZJURKDSXALPV-UHFFFAOYSA-N
XLogP0.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
3-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106164334
2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112704947
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide (CID 106165114) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)C(N)=O)c(Br)c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide?
The InChIKey is YZZJURKDSXALPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-6-2-3-7(8(12)4-6)11(17)14-5-9(15)10(13)16/h2-4,9,15H,5H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide has a molecular weight of 301.14 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide is sourced from PubChem (CID 106165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).