methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate

C16H15FN2O3 — CID 4084181

IUPACmethyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
SMILESCOC(=O)NC(Nc1ccccc1F)C(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O3/c1-22-16(21)19-15(14(20)11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)17/h2-10,15,18H,1H3,(H,19,21)
InChIKeyKEEVIPZIVFDYLB-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.80
Rot. Bonds5

About methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate

methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate (PubChem CID 4084181) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
PubChem CID4084181
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Namemethyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
SMILESCOC(=O)NC(Nc1ccccc1F)C(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O3/c1-22-16(21)19-15(14(20)11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)17/h2-10,15,18H,1H3,(H,19,21)
InChIKeyKEEVIPZIVFDYLB-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(1S)-1-(2-chloroanilino)-2-oxo-2-phenylethyl]carbamate
CID 34259420
methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
CID 7085514
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
ethyl N-[(1S)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 35580456
ethyl N-[1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 45155644
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379486
N-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate (CID 4084181) is methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate is COC(=O)NC(Nc1ccccc1F)C(=O)c1ccccc1.
What is the InChIKey of methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate?
The InChIKey is KEEVIPZIVFDYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-22-16(21)19-15(14(20)11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)17/h2-10,15,18H,1H3,(H,19,21).
What are the key properties of methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate?
methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate has a molecular weight of 302.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 4084181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).