ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate

C17H17FN2O3 — CID 26692275

IUPACethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-17(22)20-15-9-5-13(6-10-15)16(21)19-11-12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQCTZPWKYMKROBT-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.32
Rot. Bonds5

About ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate

ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 26692275) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
PubChem CID26692275
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Nameethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-23-17(22)20-15-9-5-13(6-10-15)16(21)19-11-12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQCTZPWKYMKROBT-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
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CID 109047271
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
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N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
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ethyl [4-[[4-[3-(4-fluorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931413
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
[4-[[4-[[(4-ethoxycarbonyloxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931116
ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 37481999
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
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methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate (CID 26692275) is ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is QCTZPWKYMKROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-17(22)20-15-9-5-13(6-10-15)16(21)19-11-12-3-7-14(18)8-4-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 26692275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).