N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide

C10H10BrClN2O2 — CID 103763560

IUPACN-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C10H10BrClN2O2/c1-5(9(13)15)14-10(16)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H2,13,15)(H,14,16)
InChIKeyYNJBAGGZDCEXJN-UHFFFAOYSA-N
MW305.56 g/mol
LogP1.71
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide

N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide (PubChem CID 103763560) has the molecular formula C10H10BrClN2O2 and a molecular weight of 305.56 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
PubChem CID103763560
Molecular FormulaC10H10BrClN2O2
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C10H10BrClN2O2/c1-5(9(13)15)14-10(16)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H2,13,15)(H,14,16)
InChIKeyYNJBAGGZDCEXJN-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103764047
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide (CID 103763560) is N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1Br)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide?
The InChIKey is YNJBAGGZDCEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2/c1-5(9(13)15)14-10(16)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide?
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide has a molecular weight of 305.56 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 103763560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).