N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide

C19H22FN3O2 — CID 18110401

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)23-17(24)12-21-18(25)15-6-4-5-7-16(15)22-14-10-8-13(20)9-11-14/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyKOBPBOGFNIMTOJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide (PubChem CID 18110401) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide
PubChem CID18110401
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)23-17(24)12-21-18(25)15-6-4-5-7-16(15)22-14-10-8-13(20)9-11-14/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyKOBPBOGFNIMTOJ-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide
CID 18153818
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826
N-[2-(tert-butylamino)-2-oxoethyl]-2-fluoro-5-sulfanylbenzamide
CID 107033256
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611926
4-[[[2-(4-fluoroanilino)benzoyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
CID 166389044
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
CID 105387071
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide (CID 18110401) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide is CC(C)(C)NC(=O)CNC(=O)c1ccccc1Nc1ccc(F)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide?
The InChIKey is KOBPBOGFNIMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(2,3)23-17(24)12-21-18(25)15-6-4-5-7-16(15)22-14-10-8-13(20)9-11-14/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide is sourced from PubChem (CID 18110401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).