methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate

C19H20ClNO4 — CID 92677984

IUPACmethyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C19H20ClNO4/c1-4-16(25-17-11-6-5-9-14(17)20)18(22)21-15-10-7-8-13(12(15)2)19(23)24-3/h5-11,16H,4H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyWJQGDNLVGFMVMG-MRXNPFEDSA-N
MW361.83 g/mol
LogP4.23
Rot. Bonds6

About methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate

methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate (PubChem CID 92677984) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate
PubChem CID92677984
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)OC)c1C
InChIInChI=1S/C19H20ClNO4/c1-4-16(25-17-11-6-5-9-14(17)20)18(22)21-15-10-7-8-13(12(15)2)19(23)24-3/h5-11,16H,4H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyWJQGDNLVGFMVMG-MRXNPFEDSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]benzoate
CID 92682140
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593
N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
CID 38008825
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate (CID 92677984) is methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate is CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate?
The InChIKey is WJQGDNLVGFMVMG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-4-16(25-17-11-6-5-9-14(17)20)18(22)21-15-10-7-8-13(12(15)2)19(23)24-3/h5-11,16H,4H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate?
methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate has a molecular weight of 361.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate is sourced from PubChem (CID 92677984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).