methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate

C14H19ClFNO3 — CID 78949288

IUPACmethyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFNO3/c1-19-8-7-17(6-5-14(18)20-2)10-11-3-4-12(16)9-13(11)15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyYUODDRHAZXDFGQ-UHFFFAOYSA-N
MW303.76 g/mol
LogP2.49
Rot. Bonds8

About methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate (PubChem CID 78949288) has the molecular formula C14H19ClFNO3 and a molecular weight of 303.76 g/mol. Its IUPAC name is methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
PubChem CID78949288
Molecular FormulaC14H19ClFNO3
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Namemethyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFNO3/c1-19-8-7-17(6-5-14(18)20-2)10-11-3-4-12(16)9-13(11)15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyYUODDRHAZXDFGQ-UHFFFAOYSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115970502
methyl 3-[(4,6-dichloro-3-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 116519887
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550
4-[[bis(2-methoxyethyl)amino]methyl]-3-chlorobenzoic acid
CID 102669921
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
CID 120562459
methyl 3-[(3,6-dichloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536361
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
methyl 3-[(3-bromo-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 79674030
N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119778590
(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
CID 95615840

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate (CID 78949288) is methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)Cc1ccc(F)cc1Cl.
What is the InChIKey of methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is YUODDRHAZXDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3/c1-19-8-7-17(6-5-14(18)20-2)10-11-3-4-12(16)9-13(11)15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 303.76 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78949288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).