4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane

C32H41FN4O — CID 155712068

IUPAC4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane
SMILESCC.CCCCN(CCC)c1ccc(C(=O)Nc2c(CC)[nH]c3cc(Nc4ccccc4F)ccc23)cc1
InChIInChI=1S/C30H35FN4O.C2H6/c1-4-7-19-35(18-5-2)23-15-12-21(13-16-23)30(36)34-29-24-17-14-22(20-28(24)33-26(29)6-3)32-27-11-9-8-10-25(27)31;1-2/h8-17,20,32-33H,4-7,18-19H2,1-3H3,(H,34,36);1-2H3
InChIKeyUSUOCBFAFYPSBH-UHFFFAOYSA-N
MW516.71 g/mol
LogP8.91
Rot. Bonds11

About 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane

4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane (PubChem CID 155712068) has the molecular formula C32H41FN4O and a molecular weight of 516.71 g/mol. Its IUPAC name is 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane.

Molecular Properties

Compound Name4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane
PubChem CID155712068
Molecular FormulaC32H41FN4O
Molecular Weight516.71 g/mol
Exact Mass516.33
IUPAC Name4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane
SMILESCC.CCCCN(CCC)c1ccc(C(=O)Nc2c(CC)[nH]c3cc(Nc4ccccc4F)ccc23)cc1
InChIInChI=1S/C30H35FN4O.C2H6/c1-4-7-19-35(18-5-2)23-15-12-21(13-16-23)30(36)34-29-24-17-14-22(20-28(24)33-26(29)6-3)32-27-11-9-8-10-25(27)31;1-2/h8-17,20,32-33H,4-7,18-19H2,1-3H3,(H,34,36);1-2H3
InChIKeyUSUOCBFAFYPSBH-UHFFFAOYSA-N
XLogP8.91
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.71
LogP ≤ 58.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753
N-[3-[2-(dibutylamino)ethyl]-2-propan-2-yl-1-benzothiophen-5-yl]-4-(dipropylamino)benzamide
CID 67622941
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
methyl 2-[4-[[4-(N-butylanilino)phenyl]carbamoyl]anilino]benzoate
CID 155134750
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109163195
2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
CID 126837218
N-[4-[[4-[butyl(hexyl)amino]phenyl]diazenyl]phenyl]-4-dodecylbenzamide
CID 71322289
N-[6-(2-fluoroanilino)-1H-indazol-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
CID 155208863
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane?
The IUPAC name of 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane (CID 155712068) is 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane.
What is the SMILES notation for 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane?
The canonical SMILES for 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane is CC.CCCCN(CCC)c1ccc(C(=O)Nc2c(CC)[nH]c3cc(Nc4ccccc4F)ccc23)cc1.
What is the InChIKey of 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane?
The InChIKey is USUOCBFAFYPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O.C2H6/c1-4-7-19-35(18-5-2)23-15-12-21(13-16-23)30(36)34-29-24-17-14-22(20-28(24)33-26(29)6-3)32-27-11-9-8-10-25(27)31;1-2/h8-17,20,32-33H,4-7,18-19H2,1-3H3,(H,34,36);1-2H3.
What are the key properties of 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane?
4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane has a molecular weight of 516.71 g/mol, XLogP of 8.91, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(propyl)amino]-N-[2-ethyl-6-(2-fluoroanilino)-1H-indol-3-yl]benzamide;ethane is sourced from PubChem (CID 155712068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).