[4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate

C22H20F2N2O2 — CID 171824740

IUPAC[4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate
SMILESCc1ccc(Cc2ccc(NC(=O)OCc3ccc(C(F)F)cc3)cc2)cn1
InChIInChI=1S/C22H20F2N2O2/c1-15-2-3-18(13-25-15)12-16-6-10-20(11-7-16)26-22(27)28-14-17-4-8-19(9-5-17)21(23)24/h2-11,13,21H,12,14H2,1H3,(H,26,27)
InChIKeyAUMTYNKBWVOWSF-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.67
Rot. Bonds6

About [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate

[4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate (PubChem CID 171824740) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate
PubChem CID171824740
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name[4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate
SMILESCc1ccc(Cc2ccc(NC(=O)OCc3ccc(C(F)F)cc3)cc2)cn1
InChIInChI=1S/C22H20F2N2O2/c1-15-2-3-18(13-25-15)12-16-6-10-20(11-7-16)26-22(27)28-14-17-4-8-19(9-5-17)21(23)24/h2-11,13,21H,12,14H2,1H3,(H,26,27)
InChIKeyAUMTYNKBWVOWSF-UHFFFAOYSA-N
XLogP5.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
The IUPAC name of [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate (CID 171824740) is [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate.
What is the SMILES notation for [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
The canonical SMILES for [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate is Cc1ccc(Cc2ccc(NC(=O)OCc3ccc(C(F)F)cc3)cc2)cn1.
What is the InChIKey of [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
The InChIKey is AUMTYNKBWVOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-15-2-3-18(13-25-15)12-16-6-10-20(11-7-16)26-22(27)28-14-17-4-8-19(9-5-17)21(23)24/h2-11,13,21H,12,14H2,1H3,(H,26,27).
What are the key properties of [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
[4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate has a molecular weight of 382.41 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate is sourced from PubChem (CID 171824740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).