(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C18H17BrNO5- — CID 7291192

IUPAC(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H18BrNO5/c1-24-13-6-3-11(4-7-13)15(10-17(21)22)20-18(23)12-5-8-16(25-2)14(19)9-12/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1
InChIKeyQMYRFMWYEWGADQ-OAHLLOKOSA-M
MW407.24 g/mol
LogP2.08
Rot. Bonds7

About (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate

(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 7291192) has the molecular formula C18H17BrNO5- and a molecular weight of 407.24 g/mol. Its IUPAC name is (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID7291192
Molecular FormulaC18H17BrNO5-
Molecular Weight407.24 g/mol
Exact Mass406.03
IUPAC Name(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H18BrNO5/c1-24-13-6-3-11(4-7-13)15(10-17(21)22)20-18(23)12-5-8-16(25-2)14(19)9-12/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1
InChIKeyQMYRFMWYEWGADQ-OAHLLOKOSA-M
XLogP2.08
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 7291138
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 7300191
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 7291192) is (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate is COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is QMYRFMWYEWGADQ-OAHLLOKOSA-M. The full InChI is InChI=1S/C18H18BrNO5/c1-24-13-6-3-11(4-7-13)15(10-17(21)22)20-18(23)12-5-8-16(25-2)14(19)9-12/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,22)/p-1/t15-/m1/s1.
What are the key properties of (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 407.24 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 7291192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).