4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide

C18H18F2N2O2 — CID 48846340

IUPAC4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-18(2,3)22-17(24)12-6-4-11(5-7-12)16(23)21-13-8-9-14(19)15(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyQRDYDHAOHXDHDO-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.75
Rot. Bonds3

About 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 48846340) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
PubChem CID48846340
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-18(2,3)22-17(24)12-6-4-11(5-7-12)16(23)21-13-8-9-14(19)15(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyQRDYDHAOHXDHDO-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide (CID 48846340) is 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is QRDYDHAOHXDHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-18(2,3)22-17(24)12-6-4-11(5-7-12)16(23)21-13-8-9-14(19)15(20)10-13/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.75, 3 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-(3,4-difluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 48846340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).