1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C17H16F2N2O2 — CID 109043255

IUPAC1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-10(2)20-16(22)11-3-5-12(6-4-11)17(23)21-13-7-8-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyMRWAWNKIIORDAX-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.36
Rot. Bonds4

About 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide

1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109043255) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109043255
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-10(2)20-16(22)11-3-5-12(6-4-11)17(23)21-13-7-8-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyMRWAWNKIIORDAX-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3,4-difluorophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101520
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
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
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 109043255) is 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is MRWAWNKIIORDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10(2)20-16(22)11-3-5-12(6-4-11)17(23)21-13-7-8-14(18)15(19)9-13/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).