benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate

C16H13F2NO3 — CID 144949509

IUPACbenzyl 2-(2,4-difluorophenyl)-2-formamidoacetate
SMILESO=CNC(C(=O)OCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2NO3/c17-12-6-7-13(14(18)8-12)15(19-10-20)16(21)22-9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,19,20)
InChIKeyLCDWXJIFFAJRTL-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.50
Rot. Bonds6

About benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate

benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate (PubChem CID 144949509) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate.

Molecular Properties

Compound Namebenzyl 2-(2,4-difluorophenyl)-2-formamidoacetate
PubChem CID144949509
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Namebenzyl 2-(2,4-difluorophenyl)-2-formamidoacetate
SMILESO=CNC(C(=O)OCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2NO3/c17-12-6-7-13(14(18)8-12)15(19-10-20)16(21)22-9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,19,20)
InChIKeyLCDWXJIFFAJRTL-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate;[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]methanamine;ethane
CID 144949508
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
benzyl 2-(18F)fluoro-3-hydroxypropanoate
CID 153425046
(2S)-3-(2,4-difluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 71304179
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855626
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
methyl (2R)-2-[[(1R)-1-(2,4-difluorophenyl)-2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]-4-methylpentanoate
CID 68843310
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate?
The IUPAC name of benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate (CID 144949509) is benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate.
What is the SMILES notation for benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate?
The canonical SMILES for benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate is O=CNC(C(=O)OCc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate?
The InChIKey is LCDWXJIFFAJRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c17-12-6-7-13(14(18)8-12)15(19-10-20)16(21)22-9-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,19,20).
What are the key properties of benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate?
benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate has a molecular weight of 305.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate is sourced from PubChem (CID 144949509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).