N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide

C10H10Br2N2O3 — CID 106164860

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2O3/c11-5-1-2-6(7(12)3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17)
InChIKeyWGYYFTWSANPCME-UHFFFAOYSA-N
MW366.01 g/mol
LogP0.79
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide (PubChem CID 106164860) has the molecular formula C10H10Br2N2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
PubChem CID106164860
Molecular FormulaC10H10Br2N2O3
Molecular Weight366.01 g/mol
Exact Mass363.91
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2O3/c11-5-1-2-6(7(12)3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17)
InChIKeyWGYYFTWSANPCME-UHFFFAOYSA-N
XLogP0.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
CID 106165114
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833831
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide (CID 106164860) is N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide is NC(=O)C(O)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide?
The InChIKey is WGYYFTWSANPCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3/c11-5-1-2-6(7(12)3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide has a molecular weight of 366.01 g/mol, XLogP of 0.79, 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)-2,4-dibromobenzamide is sourced from PubChem (CID 106164860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).