ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate

C17H18FN3O4 — CID 10545597

IUPACethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate
SMILESCCOC(=O)NN(C(=O)Nc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18FN3O4/c1-3-25-17(23)20-21(14-8-10-15(24-2)11-9-14)16(22)19-13-6-4-12(18)5-7-13/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySDJPCFPGFKCDEF-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.53
Rot. Bonds4

About ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate

ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate (PubChem CID 10545597) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate.

Molecular Properties

Compound Nameethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate
PubChem CID10545597
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Nameethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate
SMILESCCOC(=O)NN(C(=O)Nc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18FN3O4/c1-3-25-17(23)20-21(14-8-10-15(24-2)11-9-14)16(22)19-13-6-4-12(18)5-7-13/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySDJPCFPGFKCDEF-UHFFFAOYSA-N
XLogP3.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate
CID 91621124
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
ethyl 4-[[(4-fluorophenyl)carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53091787
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
CID 61021199
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363

Frequently Asked Questions

What is the IUPAC name of ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate?
The IUPAC name of ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate (CID 10545597) is ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate.
What is the SMILES notation for ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate?
The canonical SMILES for ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate is CCOC(=O)NN(C(=O)Nc1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate?
The InChIKey is SDJPCFPGFKCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-3-25-17(23)20-21(14-8-10-15(24-2)11-9-14)16(22)19-13-6-4-12(18)5-7-13/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate?
ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate has a molecular weight of 347.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[N-[(4-fluorophenyl)carbamoyl]-4-methoxyanilino]carbamate is sourced from PubChem (CID 10545597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).