methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate

C12H13Cl2NO3 — CID 103492705

IUPACmethyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1cccc(C)c1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-7-4-3-5-8(10(7)14)11(16)15-6-9(13)12(17)18-2/h3-5,9H,6H2,1-2H3,(H,15,16)
InChIKeyAZRAGWOOPPGMEU-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate

methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate (PubChem CID 103492705) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
PubChem CID103492705
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Namemethyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1cccc(C)c1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-7-4-3-5-8(10(7)14)11(16)15-6-9(13)12(17)18-2/h3-5,9H,6H2,1-2H3,(H,15,16)
InChIKeyAZRAGWOOPPGMEU-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
(2S)-3-[(2-chloro-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833154
methyl 2-bromo-3-[(2-chloro-3-fluorobenzoyl)amino]propanoate
CID 103492546
methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate
CID 176962244
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
CID 115766012
methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
CID 103492895
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
CID 103492919
methyl 2-bromo-3-[(3-hydroxy-2-methylbenzoyl)amino]propanoate
CID 103492371

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate (CID 103492705) is methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate is COC(=O)C(Cl)CNC(=O)c1cccc(C)c1Cl.
What is the InChIKey of methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate?
The InChIKey is AZRAGWOOPPGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-7-4-3-5-8(10(7)14)11(16)15-6-9(13)12(17)18-2/h3-5,9H,6H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate?
methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate has a molecular weight of 290.15 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 103492705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).