methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate

C17H16Cl2N2O3 — CID 6588185

IUPACmethyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-24-16(22)15(9-11-5-3-2-4-6-11)21-17(23)20-12-7-8-13(18)14(19)10-12/h2-8,10,15H,9H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyFWRBXIYRSFHNHJ-OAHLLOKOSA-N
MW367.23 g/mol
LogP3.90
Rot. Bonds5

About methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate

methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 6588185) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID6588185
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Namemethyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-24-16(22)15(9-11-5-3-2-4-6-11)21-17(23)20-12-7-8-13(18)14(19)10-12/h2-8,10,15H,9H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyFWRBXIYRSFHNHJ-OAHLLOKOSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]butanedioate
CID 27155333
methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(4-fluorophenyl)propanoate
CID 3787135
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4551289
ethyl 2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate;ethyl 2-[(3-fluoro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 158489629
(2S)-2-[[2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 27154407
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
[5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl] (2S)-2-acetamido-3-phenylpropanoate
CID 50907950
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate
CID 3720854
prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 40626177
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate (CID 6588185) is methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is FWRBXIYRSFHNHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-24-16(22)15(9-11-5-3-2-4-6-11)21-17(23)20-12-7-8-13(18)14(19)10-12/h2-8,10,15H,9H2,1H3,(H2,20,21,23)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate?
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 367.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 6588185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).