2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide

C17H16F2N2O — CID 176938951

IUPAC2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
SMILESCc1ccc(Nc2cc(F)cc(C3CC3)c2C(N)=O)c(F)c1
InChIInChI=1S/C17H16F2N2O/c1-9-2-5-14(13(19)6-9)21-15-8-11(18)7-12(10-3-4-10)16(15)17(20)22/h2,5-8,10,21H,3-4H2,1H3,(H2,20,22)
InChIKeyDMBRXFVAAYGTRD-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.99
Rot. Bonds4

About 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide

2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide (PubChem CID 176938951) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide.

Molecular Properties

Compound Name2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
PubChem CID176938951
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
SMILESCc1ccc(Nc2cc(F)cc(C3CC3)c2C(N)=O)c(F)c1
InChIInChI=1S/C17H16F2N2O/c1-9-2-5-14(13(19)6-9)21-15-8-11(18)7-12(10-3-4-10)16(15)17(20)22/h2,5-8,10,21H,3-4H2,1H3,(H2,20,22)
InChIKeyDMBRXFVAAYGTRD-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane
CID 176938915
4-fluoro-2-(2-fluoro-4-methylanilino)-6-(3-hydroxy-4-methylsulfanyloxybutoxy)benzamide
CID 143881121
3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-prop-1-ynylbenzamide
CID 176938942
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one
CID 143702156
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412317
1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide?
The IUPAC name of 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide (CID 176938951) is 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide.
What is the SMILES notation for 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide?
The canonical SMILES for 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide is Cc1ccc(Nc2cc(F)cc(C3CC3)c2C(N)=O)c(F)c1.
What is the InChIKey of 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide?
The InChIKey is DMBRXFVAAYGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-9-2-5-14(13(19)6-9)21-15-8-11(18)7-12(10-3-4-10)16(15)17(20)22/h2,5-8,10,21H,3-4H2,1H3,(H2,20,22).
What are the key properties of 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide?
2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide has a molecular weight of 302.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide is sourced from PubChem (CID 176938951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).