methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate

C18H19FN2O3 — CID 3831321

IUPACmethyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-24-17(22)16(11-13-7-3-2-4-8-13)21-18(23)20-12-14-9-5-6-10-15(14)19/h2-10,16H,11-12H2,1H3,(H2,20,21,23)
InChIKeyLPLGXKBZQGJDLY-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.41
Rot. Bonds6

About methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate

methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate (PubChem CID 3831321) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
PubChem CID3831321
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namemethyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-24-17(22)16(11-13-7-3-2-4-8-13)21-18(23)20-12-14-9-5-6-10-15(14)19/h2-10,16H,11-12H2,1H3,(H2,20,21,23)
InChIKeyLPLGXKBZQGJDLY-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoic acid
CID 947568
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 5126515
methyl 3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoate
CID 4593690
methyl 3-phenyl-2-(prop-2-enylcarbamoylamino)propanoate
CID 4255047
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 6956485
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate
CID 110493573
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]pentanedioic acid
CID 61189681
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
methyl (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylcarbamoylamino]-3-phenylpropanoate
CID 102396620
N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-methylsulfonylpropanamide
CID 87927690

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate (CID 3831321) is methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)NCc1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate?
The InChIKey is LPLGXKBZQGJDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-17(22)16(11-13-7-3-2-4-8-13)21-18(23)20-12-14-9-5-6-10-15(14)19/h2-10,16H,11-12H2,1H3,(H2,20,21,23).
What are the key properties of methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate?
methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate has a molecular weight of 330.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 3831321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).