benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate

C17H17FN2O3 — CID 101435256

IUPACbenzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c18-15-8-6-13(7-9-15)10-19-16(21)11-20-17(22)23-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHXWRFGMBFJQRKB-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.37
Rot. Bonds6

About benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate

benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate (PubChem CID 101435256) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
PubChem CID101435256
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namebenzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c18-15-8-6-13(7-9-15)10-19-16(21)11-20-17(22)23-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHXWRFGMBFJQRKB-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[(2S,3S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611849
benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate (CID 101435256) is benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is HXWRFGMBFJQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-15-8-6-13(7-9-15)10-19-16(21)11-20-17(22)23-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 101435256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).