methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate

C18H18ClNO4 — CID 95332256

IUPACmethyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-18(17(22)23-2,12-24-13-8-4-3-5-9-13)20-16(21)14-10-6-7-11-15(14)19/h3-11H,12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyDXXLJQNWTSXDHS-GOSISDBHSA-N
MW347.80 g/mol
LogP3.08
Rot. Bonds6

About methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate

methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate (PubChem CID 95332256) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
PubChem CID95332256
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-18(17(22)23-2,12-24-13-8-4-3-5-9-13)20-16(21)14-10-6-7-11-15(14)19/h3-11H,12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyDXXLJQNWTSXDHS-GOSISDBHSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate with MolForge

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Related Compounds

methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate
CID 54303079
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methyl-3-phenoxypropanoate
CID 56542457
methyl 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542013
methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542171
methyl (2R)-2-[(2-bromobenzoyl)amino]-2-methylbutanoate
CID 94797947
methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate
CID 94811894
2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 71915606
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542104

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate?
The IUPAC name of methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate (CID 95332256) is methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate.
What is the SMILES notation for methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate?
The canonical SMILES for methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate is COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate?
The InChIKey is DXXLJQNWTSXDHS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-18(17(22)23-2,12-24-13-8-4-3-5-9-13)20-16(21)14-10-6-7-11-15(14)19/h3-11H,12H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate?
methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate has a molecular weight of 347.80 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate is sourced from PubChem (CID 95332256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).