N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide

C21H22FN3O2 — CID 155375912

IUPACN-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CC2=NCc3ccc(F)cc32)c1
InChIInChI=1S/C21H22FN3O2/c1-21(2,3)25-20(27)13-5-4-6-16(9-13)24-19(26)11-18-17-10-15(22)8-7-14(17)12-23-18/h4-10H,11-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyINEASMQEKMEVRC-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.69
Rot. Bonds4

About N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide (PubChem CID 155375912) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide
PubChem CID155375912
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CC2=NCc3ccc(F)cc32)c1
InChIInChI=1S/C21H22FN3O2/c1-21(2,3)25-20(27)13-5-4-6-16(9-13)24-19(26)11-18-17-10-15(22)8-7-14(17)12-23-18/h4-10H,11-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyINEASMQEKMEVRC-UHFFFAOYSA-N
XLogP3.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 39994248
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
(1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895875
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-2-methylbenzamide
CID 168283392
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-fluoro-5-[(4-fluorobenzoyl)amino]benzamide
CID 168287836
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 168290241
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-5-methylbenzamide
CID 168290398
N-Indan-5-yl-2-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetamide
CID 652384
N-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)butyramide
CID 44402096
N-{3-[(4-Oxo-3,4-dihydrophthalazin-1-yl)methyl]phenyl}propanamide
CID 44402230
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70850904
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-2-fluorobenzamide
CID 152442074

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide (CID 155375912) is N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CC2=NCc3ccc(F)cc32)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide?
The InChIKey is INEASMQEKMEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-21(2,3)25-20(27)13-5-4-6-16(9-13)24-19(26)11-18-17-10-15(22)8-7-14(17)12-23-18/h4-10H,11-12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide has a molecular weight of 367.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(6-fluoro-3H-isoindol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 155375912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).