methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate

C16H14FNO2 — CID 135087163

IUPACmethyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate
SMILESCOC(=O)C/N=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15(19)11-18-16(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10H,11H2,1H3/b18-16+
InChIKeyVZHPVTXNJLGFAC-FBMGVBCBSA-N
MW271.29 g/mol
LogP2.84
Rot. Bonds4

About methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate

methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate (PubChem CID 135087163) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate
PubChem CID135087163
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate
SMILESCOC(=O)C/N=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15(19)11-18-16(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10H,11H2,1H3/b18-16+
InChIKeyVZHPVTXNJLGFAC-FBMGVBCBSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-{[(E)-phenylmethylidene]amino}propanoate
CID 583372
Ethyl 2-(diphenylmethyleneamino)acetate
CID 319508
Methyl N-(diphenylmethylidene)glycinate
CID 563248
Tert-butyl 2-((diphenylmethylene)amino)-5,5,5-trifluoropentanoate
CID 86695928
N-(Diphenylmethylene)glycine tert-butyl ester
CID 688171
Methyl [(phenylmethylidene)amino]acetate
CID 4169153
l-Alanine, N-(phenylmethylene)-, methyl ester
CID 1478228
Methyl (E)-N-[(p-fluorophenyl)methylene]glycinate
CID 11275592
ethyl Nalpha diphenylmethylene-L-alaninate
CID 10085120
Ethyl 2-[(diphenylmethylene)amino]-4-pentenoate
CID 10470478
Ethyl (acetyloxy)[(diphenylmethylidene)amino]acetate
CID 11023815
n-(Diphenylmethylene)-4-fluoro-dl-leucine, ethyl ester
CID 118703503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate?
The IUPAC name of methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate (CID 135087163) is methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate?
The canonical SMILES for methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate is COC(=O)C/N=C(\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate?
The InChIKey is VZHPVTXNJLGFAC-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-15(19)11-18-16(12-5-3-2-4-6-12)13-7-9-14(17)10-8-13/h2-10H,11H2,1H3/b18-16+.
What are the key properties of methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate?
methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate has a molecular weight of 271.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-fluorophenyl)-phenylmethylidene]amino]acetate is sourced from PubChem (CID 135087163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).