[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

C18H19FN2O4 — CID 154118331

IUPAC[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCC(C)OC(=O)Nc1cccc(OC(=O)N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4/c1-12(2)24-17(22)20-14-5-4-6-16(11-14)25-18(23)21(3)15-9-7-13(19)8-10-15/h4-12H,1-3H3,(H,20,22)
InChIKeyJEAXLXQLSPKFHM-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.42
Rot. Bonds4

About [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 154118331) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
PubChem CID154118331
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCC(C)OC(=O)Nc1cccc(OC(=O)N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4/c1-12(2)24-17(22)20-14-5-4-6-16(11-14)25-18(23)21(3)15-9-7-13(19)8-10-15/h4-12H,1-3H3,(H,20,22)
InChIKeyJEAXLXQLSPKFHM-UHFFFAOYSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(propan-2-yloxycarbonylamino)phenyl] N-(2-bromoethyl)-N-(4-methylphenyl)carbamate
CID 57260750
[3-(propan-2-yloxycarbonylamino)phenyl] N-benzyl-N-(2-chloroethyl)carbamate
CID 54062729
[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate
CID 154154080
[3-(1-chloropropan-2-yloxycarbonylamino)phenyl] N,N-diethylcarbamate
CID 54450752
[3-[(2,6-difluorobenzoyl)amino]phenyl] N,N-dimethylcarbamate
CID 2739042
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
[3-(prop-2-ynoxycarbonylamino)phenyl] N-(2-methylpropyl)-N-phenylcarbamate
CID 154236371
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
[3-(propan-2-yloxycarbonylamino)phenyl] N-[4-(3-methylphenyl)butyl]carbamate
CID 54205965
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
CID 38019493
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065

Frequently Asked Questions

What is the IUPAC name of [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The IUPAC name of [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (CID 154118331) is [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is CC(C)OC(=O)Nc1cccc(OC(=O)N(C)c2ccc(F)cc2)c1.
What is the InChIKey of [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The InChIKey is JEAXLXQLSPKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-12(2)24-17(22)20-14-5-4-6-16(11-14)25-18(23)21(3)15-9-7-13(19)8-10-15/h4-12H,1-3H3,(H,20,22).
What are the key properties of [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate has a molecular weight of 346.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 154118331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).