methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate

C17H15ClFNO4 — CID 26074860

IUPACmethyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H15ClFNO4/c1-10(24-13-6-3-11(19)4-7-13)16(21)20-12-5-8-15(18)14(9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyCIHJASNIJSTRHZ-SNVBAGLBSA-N
MW351.76 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate

methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate (PubChem CID 26074860) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
PubChem CID26074860
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Namemethyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H15ClFNO4/c1-10(24-13-6-3-11(19)4-7-13)16(21)20-12-5-8-15(18)14(9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyCIHJASNIJSTRHZ-SNVBAGLBSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 43081016
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
methyl 2-chloro-5-[[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzoate
CID 28578411
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
CID 18084077
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
ethyl 2-chloro-5-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 132656487
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate (CID 26074860) is methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate is COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate?
The InChIKey is CIHJASNIJSTRHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-10(24-13-6-3-11(19)4-7-13)16(21)20-12-5-8-15(18)14(9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate?
methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate has a molecular weight of 351.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 26074860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).