N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide

C19H20F2N4O2 — CID 71891037

IUPACN-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCC(C)(C)n1cc(C#N)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N4O2/c1-19(2,3)25-11-12(10-22)8-16(25)24-17(26)6-7-23-18(27)14-5-4-13(20)9-15(14)21/h4-5,8-9,11H,6-7H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUQQRAWXSFODWHF-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 71891037) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID71891037
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC NameN-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCC(C)(C)n1cc(C#N)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N4O2/c1-19(2,3)25-11-12(10-22)8-16(25)24-17(26)6-7-23-18(27)14-5-4-13(20)9-15(14)21/h4-5,8-9,11H,6-7H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUQQRAWXSFODWHF-UHFFFAOYSA-N
XLogP3.15
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[3-(3-ethynylanilino)-3-oxopropyl]-2,4-difluorobenzamide
CID 134043041
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26811616
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 71891037) is N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide is CC(C)(C)n1cc(C#N)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is UQQRAWXSFODWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-19(2,3)25-11-12(10-22)8-16(25)24-17(26)6-7-23-18(27)14-5-4-13(20)9-15(14)21/h4-5,8-9,11H,6-7H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 374.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 71891037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).