N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide

C16H21FN2O — CID 29457118

IUPACN-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NC(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C16H21FN2O/c1-10-2-7-14(13(17)8-10)18-9-15(20)19-16(11-3-4-11)12-5-6-12/h2,7-8,11-12,16,18H,3-6,9H2,1H3,(H,19,20)
InChIKeyORBNCACWMPEDKW-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.85
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide

N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide (PubChem CID 29457118) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
PubChem CID29457118
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NC(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C16H21FN2O/c1-10-2-7-14(13(17)8-10)18-9-15(20)19-16(11-3-4-11)12-5-6-12/h2,7-8,11-12,16,18H,3-6,9H2,1H3,(H,19,20)
InChIKeyORBNCACWMPEDKW-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate
CID 86922278
N-(cyanomethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 28892313
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
N-(dicyclopropylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62509943
2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
CID 34068559
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide (CID 29457118) is N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)NC(C2CC2)C2CC2)c(F)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide?
The InChIKey is ORBNCACWMPEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-10-2-7-14(13(17)8-10)18-9-15(20)19-16(11-3-4-11)12-5-6-12/h2,7-8,11-12,16,18H,3-6,9H2,1H3,(H,19,20).
What are the key properties of N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide?
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide has a molecular weight of 276.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 29457118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).