N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide

C19H21F2NO — CID 8778728

IUPACN-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H21F2NO/c1-11(2)16-6-5-7-17(12(3)4)18(16)22-19(23)13-8-14(20)10-15(21)9-13/h5-12H,1-4H3,(H,22,23)
InChIKeyRMSLFAMAWYQHHZ-UHFFFAOYSA-N
MW317.38 g/mol
LogP5.46
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide

N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide (PubChem CID 8778728) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
PubChem CID8778728
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H21F2NO/c1-11(2)16-6-5-7-17(12(3)4)18(16)22-19(23)13-8-14(20)10-15(21)9-13/h5-12H,1-4H3,(H,22,23)
InChIKeyRMSLFAMAWYQHHZ-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.38
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
CID 113199333
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
CID 8777185
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide (CID 8778728) is N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide?
The InChIKey is RMSLFAMAWYQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-11(2)16-6-5-7-17(12(3)4)18(16)22-19(23)13-8-14(20)10-15(21)9-13/h5-12H,1-4H3,(H,22,23).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide?
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide has a molecular weight of 317.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 8778728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).