methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate

C16H14BrNO3 — CID 40541065

IUPACmethyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H14BrNO3/c1-21-16(20)14(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,19)/t14-/m1/s1
InChIKeyIZTHKHVCGLWUIY-CQSZACIVSA-N
MW348.20 g/mol
LogP3.09
Rot. Bonds4

About methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate

methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate (PubChem CID 40541065) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
PubChem CID40541065
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Namemethyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H14BrNO3/c1-21-16(20)14(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,19)/t14-/m1/s1
InChIKeyIZTHKHVCGLWUIY-CQSZACIVSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
methyl (2R,3R)-2-benzamido-3-(3-bromophenyl)-3-hydroxypropanoate
CID 135065759
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
methyl (2S)-2-[[3-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoyl]amino]-2-phenylacetate
CID 101168963
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate (CID 40541065) is methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate is COC(=O)[C@H](NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate?
The InChIKey is IZTHKHVCGLWUIY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-21-16(20)14(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate?
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate has a molecular weight of 348.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate is sourced from PubChem (CID 40541065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).