methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate

C17H15Cl2NO4 — CID 1010111

IUPACmethyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-15-8-5-12(18)9-14(15)19)16(21)20-13-6-3-11(4-7-13)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyYKAPMZLTSWHGLA-JTQLQIEISA-N
MW368.22 g/mol
LogP4.19
Rot. Bonds5

About methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate

methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate (PubChem CID 1010111) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
PubChem CID1010111
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Namemethyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-15-8-5-12(18)9-14(15)19)16(21)20-13-6-3-11(4-7-13)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyYKAPMZLTSWHGLA-JTQLQIEISA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate (CID 1010111) is methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate?
The InChIKey is YKAPMZLTSWHGLA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-10(24-15-8-5-12(18)9-14(15)19)16(21)20-13-6-3-11(4-7-13)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate?
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate has a molecular weight of 368.22 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 1010111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).