N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide

C10H10BrClN2O2 — CID 171390393

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1Br)C(N)=O
InChIInChI=1S/C10H10BrClN2O2/c1-5(9(13)15)14-10(16)6-3-2-4-7(12)8(6)11/h2-5H,1H3,(H2,13,15)(H,14,16)/t5-/m1/s1
InChIKeyWWVMYRUBJTYXNT-RXMQYKEDSA-N
MW305.56 g/mol
LogP1.71
Rot. Bonds3

About N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide (PubChem CID 171390393) has the molecular formula C10H10BrClN2O2 and a molecular weight of 305.56 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
PubChem CID171390393
Molecular FormulaC10H10BrClN2O2
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1Br)C(N)=O
InChIInChI=1S/C10H10BrClN2O2/c1-5(9(13)15)14-10(16)6-3-2-4-7(12)8(6)11/h2-5H,1H3,(H2,13,15)(H,14,16)/t5-/m1/s1
InChIKeyWWVMYRUBJTYXNT-RXMQYKEDSA-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

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
2-bromo-3-chloro-N-methylbenzamide
CID 69377341
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide
CID 51931809
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
CID 75500408

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide (CID 171390393) is N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide is C[C@@H](NC(=O)c1cccc(Cl)c1Br)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide?
The InChIKey is WWVMYRUBJTYXNT-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10BrClN2O2/c1-5(9(13)15)14-10(16)6-3-2-4-7(12)8(6)11/h2-5H,1H3,(H2,13,15)(H,14,16)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-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-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide is sourced from PubChem (CID 171390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).