methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate

C23H20BrNO3 — CID 90805913

IUPACmethyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1-c1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-28-23(27)21(14-16-8-4-2-5-9-16)25-22(26)19-13-12-18(24)15-20(19)17-10-6-3-7-11-17/h2-13,15,21H,14H2,1H3,(H,25,26)/t21-/m1/s1
InChIKeyUUBUMAVPWXXQIL-OAQYLSRUSA-N
MW438.32 g/mol
LogP4.63
Rot. Bonds6

About methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate

methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate (PubChem CID 90805913) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate
PubChem CID90805913
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Namemethyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1-c1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-28-23(27)21(14-16-8-4-2-5-9-16)25-22(26)19-13-12-18(24)15-20(19)17-10-6-3-7-11-17/h2-13,15,21H,14H2,1H3,(H,25,26)/t21-/m1/s1
InChIKeyUUBUMAVPWXXQIL-OAQYLSRUSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]-3-phenylpropanoate
CID 59949377
methyl 2-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
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methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 20624242
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 45370251
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 59949188
methyl (2S)-2-[(5-bromo-2-heptoxybenzoyl)amino]-3-(4-phenylphenyl)propanoate
CID 58717842
methyl (2S)-2-[(5-bromo-2-ethoxycarbonyloxybenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate
CID 58717828
methyl (2S)-2-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoate
CID 58718064
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
methyl (2S)-3-phenyl-2-[(3,4,5-tribromothiophene-2-carbonyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate (CID 90805913) is methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1-c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate?
The InChIKey is UUBUMAVPWXXQIL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20BrNO3/c1-28-23(27)21(14-16-8-4-2-5-9-16)25-22(26)19-13-12-18(24)15-20(19)17-10-6-3-7-11-17/h2-13,15,21H,14H2,1H3,(H,25,26)/t21-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate?
methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate has a molecular weight of 438.32 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-bromo-2-phenylbenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 90805913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).