ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate

C19H20FN3O5 — CID 9373631

IUPACethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1
InChIInChI=1S/C19H20FN3O5/c1-3-27-19(26)21-14-8-6-7-13(11-14)18(25)23-22-17(24)12(2)28-16-10-5-4-9-15(16)20/h4-12H,3H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyJOQUCIAYBCNXCV-LBPRGKRZSA-N
MW389.38 g/mol
LogP2.62
Rot. Bonds6

About ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate

ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate (PubChem CID 9373631) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
PubChem CID9373631
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Nameethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1
InChIInChI=1S/C19H20FN3O5/c1-3-27-19(26)21-14-8-6-7-13(11-14)18(25)23-22-17(24)12(2)28-16-10-5-4-9-15(16)20/h4-12H,3H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyJOQUCIAYBCNXCV-LBPRGKRZSA-N
XLogP2.62
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[3-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
CID 9373628
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
N-[3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl]-3-imidazol-1-ylpropanamide
CID 55986679
N'-[2-(2-fluorophenoxy)propanoyl]-3-(methylsulfonylmethyl)benzohydrazide
CID 55388470
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
tert-butyl N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]carbamate
CID 55388487
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9426662

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate (CID 9373631) is ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1.
What is the InChIKey of ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate?
The InChIKey is JOQUCIAYBCNXCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-3-27-19(26)21-14-8-6-7-13(11-14)18(25)23-22-17(24)12(2)28-16-10-5-4-9-15(16)20/h4-12H,3H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate?
ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate has a molecular weight of 389.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9373631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).