methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate

C18H18ClNO4 — CID 25496543

IUPACmethyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClNO4/c1-11-7-8-13(18(22)23-3)9-16(11)20-17(21)12(2)24-15-6-4-5-14(19)10-15/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyXKMHRFMJRMMJNS-GFCCVEGCSA-N
MW347.80 g/mol
LogP3.84
Rot. Bonds5

About methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate

methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate (PubChem CID 25496543) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate
PubChem CID25496543
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClNO4/c1-11-7-8-13(18(22)23-3)9-16(11)20-17(21)12(2)24-15-6-4-5-14(19)10-15/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyXKMHRFMJRMMJNS-GFCCVEGCSA-N
XLogP3.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

methyl 3-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548597
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
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-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
methyl 3-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 898480
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 26564189
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate (CID 25496543) is methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate?
The InChIKey is XKMHRFMJRMMJNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-11-7-8-13(18(22)23-3)9-16(11)20-17(21)12(2)24-15-6-4-5-14(19)10-15/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate?
methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate has a molecular weight of 347.80 g/mol, XLogP of 3.84, 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-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 25496543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).