methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate

C18H17Cl2NO4 — CID 2122611

IUPACmethyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2NO4/c1-10-4-5-12(18(23)24-3)8-15(10)21-17(22)11(2)25-16-7-6-13(19)9-14(16)20/h4-9,11H,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyNSIVWTFDYVEUKO-NSHDSACASA-N
MW382.24 g/mol
LogP4.49
Rot. Bonds5

About methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate

methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate (PubChem CID 2122611) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
PubChem CID2122611
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Namemethyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2NO4/c1-10-4-5-12(18(23)24-3)8-15(10)21-17(22)11(2)25-16-7-6-13(19)9-14(16)20/h4-9,11H,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyNSIVWTFDYVEUKO-NSHDSACASA-N
XLogP4.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate 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

N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
CID 55783367
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
dimethyl 2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 1358412
methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 25496543
methyl 3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-(4-methylpiperazin-1-yl)benzoate
CID 17313312
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
methyl 4-chloro-3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]benzoate
CID 38018063
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate (CID 2122611) is methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate?
The InChIKey is NSIVWTFDYVEUKO-NSHDSACASA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-10-4-5-12(18(23)24-3)8-15(10)21-17(22)11(2)25-16-7-6-13(19)9-14(16)20/h4-9,11H,1-3H3,(H,21,22)/t11-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate?
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate has a molecular weight of 382.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 2122611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).