N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C21H19N3O4 — CID 31011246

IUPACN-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C21H19N3O4/c1-12-18-15(4-2-5-16(18)25)24-19(12)21(27)23-14-9-7-13(8-10-14)22-20(26)17-6-3-11-28-17/h3,6-11,24H,2,4-5H2,1H3,(H,22,26)(H,23,27)
InChIKeyDUYFLAJZCCKECB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.94
Rot. Bonds4

About N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 31011246) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID31011246
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C21H19N3O4/c1-12-18-15(4-2-5-16(18)25)24-19(12)21(27)23-14-9-7-13(8-10-14)22-20(26)17-6-3-11-28-17/h3,6-11,24H,2,4-5H2,1H3,(H,22,26)(H,23,27)
InChIKeyDUYFLAJZCCKECB-UHFFFAOYSA-N
XLogP3.94
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55840479
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47082963
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 163317262
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 39910650

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 31011246) is N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is DUYFLAJZCCKECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-12-18-15(4-2-5-16(18)25)24-19(12)21(27)23-14-9-7-13(8-10-14)22-20(26)17-6-3-11-28-17/h3,6-11,24H,2,4-5H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 31011246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).