4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide

C19H21FN2O2 — CID 48847731

IUPAC4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)22-18(24)14-10-8-13(9-11-14)17(23)21-12-15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMRNSMVAMTREADF-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.28
Rot. Bonds4

About 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 48847731) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID48847731
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)22-18(24)14-10-8-13(9-11-14)17(23)21-12-15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMRNSMVAMTREADF-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53082302
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide (CID 48847731) is 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is MRNSMVAMTREADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2,3)22-18(24)14-10-8-13(9-11-14)17(23)21-12-15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 48847731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).