ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate

C18H19FN2O3 — CID 9426662

IUPACethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3/c1-3-24-18(23)21-16-6-4-5-14(11-16)17(22)20-12(2)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyDIFKCUUMYRLZJR-LBPRGKRZSA-N
MW330.36 g/mol
LogP3.89
Rot. Bonds5

About ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate

ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate (PubChem CID 9426662) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
PubChem CID9426662
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nameethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3/c1-3-24-18(23)21-16-6-4-5-14(11-16)17(22)20-12(2)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyDIFKCUUMYRLZJR-LBPRGKRZSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-[1-(4-fluorophenyl)ethylamino]benzoate
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ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
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N-(1-phenylethyl)-3-(propanoylamino)benzamide
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N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
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ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
CID 9373631

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate (CID 9426662) is ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate?
The InChIKey is DIFKCUUMYRLZJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-3-24-18(23)21-16-6-4-5-14(11-16)17(22)20-12(2)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate?
ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate has a molecular weight of 330.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9426662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).