methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate

C19H20ClNO4 — CID 1177997

IUPACmethyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C19H20ClNO4/c1-11-8-16(9-12(2)17(11)20)25-13(3)18(22)21-15-7-5-6-14(10-15)19(23)24-4/h5-10,13H,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyYFVKYOWMHDNXOJ-CYBMUJFWSA-N
MW361.83 g/mol
LogP4.15
Rot. Bonds5

About methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate

methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate (PubChem CID 1177997) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
PubChem CID1177997
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C19H20ClNO4/c1-11-8-16(9-12(2)17(11)20)25-13(3)18(22)21-15-7-5-6-14(10-15)19(23)24-4/h5-10,13H,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyYFVKYOWMHDNXOJ-CYBMUJFWSA-N
XLogP4.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate 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

methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
methyl 3-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 43885235
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate (CID 1177997) is methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate?
The InChIKey is YFVKYOWMHDNXOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-11-8-16(9-12(2)17(11)20)25-13(3)18(22)21-15-7-5-6-14(10-15)19(23)24-4/h5-10,13H,1-4H3,(H,21,22)/t13-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate?
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate has a molecular weight of 361.83 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 1177997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).