N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide

C17H15BrN2O3 — CID 51931809

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C17H15BrN2O3/c1-10(16(19)22)20-17(23)14-5-3-2-4-13(14)15(21)11-6-8-12(18)9-7-11/h2-10H,1H3,(H2,19,22)(H,20,23)/t10-/m1/s1
InChIKeyVLWPRCKGUOGUSF-SNVBAGLBSA-N
MW375.22 g/mol
LogP2.28
Rot. Bonds5

About N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide (PubChem CID 51931809) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide
PubChem CID51931809
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C17H15BrN2O3/c1-10(16(19)22)20-17(23)14-5-3-2-4-13(14)15(21)11-6-8-12(18)9-7-11/h2-10H,1H3,(H2,19,22)(H,20,23)/t10-/m1/s1
InChIKeyVLWPRCKGUOGUSF-SNVBAGLBSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
CID 60571715
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-bromo-4-methylbenzamide
CID 171390408

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide (CID 51931809) is N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide is C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide?
The InChIKey is VLWPRCKGUOGUSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-10(16(19)22)20-17(23)14-5-3-2-4-13(14)15(21)11-6-8-12(18)9-7-11/h2-10H,1H3,(H2,19,22)(H,20,23)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide has a molecular weight of 375.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide is sourced from PubChem (CID 51931809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).