tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate

C18H21FN2O2 — CID 147462087

IUPACtert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate
SMILESCNc1cc(-c2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H21FN2O2/c1-18(2,3)23-17(22)21-15-10-7-13(11-16(15)20-4)12-5-8-14(19)9-6-12/h5-11,20H,1-4H3,(H,21,22)
InChIKeyFACSFANFWNVAQX-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.88
Rot. Bonds3

About tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate

tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate (PubChem CID 147462087) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate
PubChem CID147462087
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Nametert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate
SMILESCNc1cc(-c2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H21FN2O2/c1-18(2,3)23-17(22)21-15-10-7-13(11-16(15)20-4)12-5-8-14(19)9-6-12/h5-11,20H,1-4H3,(H,21,22)
InChIKeyFACSFANFWNVAQX-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
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tert-butyl N-[4-(4-fluorophenyl)-2-[(5-methylsulfanylthieno[2,3-b]pyridine-2-carbonyl)amino]phenyl]carbamate
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tert-butyl N-[2-[(4-methylsulfanylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]phenyl]carbamate
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2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
tert-butyl N-[4-(4-fluorophenyl)-2-[[4-(3-methyl-1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)benzoyl]amino]phenyl]carbamate
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tert-butyl N-[4-(4-fluorophenyl)-2-[[6-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]pyridine-3-carbonyl]amino]phenyl]carbamate
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tert-butyl N-[4-(4-fluorophenyl)-2-[[3-(methylsulfonimidoyl)-1-benzofuran-6-carbonyl]amino]phenyl]carbamate
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tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate (CID 147462087) is tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate is CNc1cc(-c2ccc(F)cc2)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate?
The InChIKey is FACSFANFWNVAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(2,3)23-17(22)21-15-10-7-13(11-16(15)20-4)12-5-8-14(19)9-6-12/h5-11,20H,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate?
tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate has a molecular weight of 316.38 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate is sourced from PubChem (CID 147462087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).