4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C14H18F2N2O — CID 79356989

IUPAC4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2cc(F)c(N)c(F)c2)C1(C)C
InChIInChI=1S/C14H18F2N2O/c1-13(2)12(14(13,3)4)18-11(19)7-5-8(15)10(17)9(16)6-7/h5-6,12H,17H2,1-4H3,(H,18,19)
InChIKeyRTXZVZQWQPLSIY-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.71
Rot. Bonds2

About 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 79356989) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID79356989
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2cc(F)c(N)c(F)c2)C1(C)C
InChIInChI=1S/C14H18F2N2O/c1-13(2)12(14(13,3)4)18-11(19)7-5-8(15)10(17)9(16)6-7/h5-6,12H,17H2,1-4H3,(H,18,19)
InChIKeyRTXZVZQWQPLSIY-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 79872681
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79772979
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
CID 79693424
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 79356989) is 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=O)c2cc(F)c(N)c(F)c2)C1(C)C.
What is the InChIKey of 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is RTXZVZQWQPLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-13(2)12(14(13,3)4)18-11(19)7-5-8(15)10(17)9(16)6-7/h5-6,12H,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 79356989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).