N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide

C15H21FN2O2 — CID 115609087

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21FN2O2/c1-10-5-6-12(16)11(9-10)14(20)17-8-7-13(19)18-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRQEVLDYCKNDAGR-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.17
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide

N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide (PubChem CID 115609087) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
PubChem CID115609087
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21FN2O2/c1-10-5-6-12(16)11(9-10)14(20)17-8-7-13(19)18-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRQEVLDYCKNDAGR-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide (CID 115609087) is N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide?
The InChIKey is RQEVLDYCKNDAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-5-6-12(16)11(9-10)14(20)17-8-7-13(19)18-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide?
N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 115609087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).