N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide

C24H22FN5O4 — CID 171677895

IUPACN-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide
SMILESO=C(CC1NC(=O)NC1=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1
InChIInChI=1S/C24H22FN5O4/c25-15-4-7-17-13(10-15)11-18(27-17)22(33)30-24(8-1-9-24)14-2-5-16(6-3-14)26-20(31)12-19-21(32)29-23(34)28-19/h2-7,10-11,19,27H,1,8-9,12H2,(H,26,31)(H,30,33)(H2,28,29,32,34)
InChIKeyUFEAWJKESPCUTL-UHFFFAOYSA-N
MW463.47 g/mol
LogP2.65
Rot. Bonds6

About N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide

N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 171677895) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID171677895
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC NameN-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide
SMILESO=C(CC1NC(=O)NC1=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1
InChIInChI=1S/C24H22FN5O4/c25-15-4-7-17-13(10-15)11-18(27-17)22(33)30-24(8-1-9-24)14-2-5-16(6-3-14)26-20(31)12-19-21(32)29-23(34)28-19/h2-7,10-11,19,27H,1,8-9,12H2,(H,26,31)(H,30,33)(H2,28,29,32,34)
InChIKeyUFEAWJKESPCUTL-UHFFFAOYSA-N
XLogP2.65
TPSA132.19 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
CID 144936006
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
CID 110698561
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
2-(2,5-dioxoimidazolidin-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 110698557
5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 46557541
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide
CID 118425240
2-(2,5-dioxoimidazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110698550
2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 75511546
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide (CID 171677895) is N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide is O=C(CC1NC(=O)NC1=O)Nc1ccc(C2(NC(=O)c3cc4cc(F)ccc4[nH]3)CCC2)cc1.
What is the InChIKey of N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is UFEAWJKESPCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c25-15-4-7-17-13(10-15)11-18(27-17)22(33)30-24(8-1-9-24)14-2-5-16(6-3-14)26-20(31)12-19-21(32)29-23(34)28-19/h2-7,10-11,19,27H,1,8-9,12H2,(H,26,31)(H,30,33)(H2,28,29,32,34).
What are the key properties of N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide?
N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]phenyl]cyclobutyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 171677895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).