N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide

C17H14F2N4O2 — CID 51101844

IUPACN-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1cccc2[nH]ncc12)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N4O2/c18-10-4-5-12(14(19)8-10)17(25)21-7-6-20-16(24)11-2-1-3-15-13(11)9-22-23-15/h1-5,8-9H,6-7H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPTLYXBMSRAZRRF-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.00
Rot. Bonds5

About N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide (PubChem CID 51101844) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide
PubChem CID51101844
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC NameN-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1cccc2[nH]ncc12)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N4O2/c18-10-4-5-12(14(19)8-10)17(25)21-7-6-20-16(24)11-2-1-3-15-13(11)9-22-23-15/h1-5,8-9H,6-7H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPTLYXBMSRAZRRF-UHFFFAOYSA-N
XLogP2.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684
N-(3-formamidopropyl)-1H-indazole-4-carboxamide
CID 110468696
N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
CID 110468689
N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
CID 172894549
2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 60933063
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide (CID 51101844) is N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide is O=C(NCCNC(=O)c1cccc2[nH]ncc12)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide?
The InChIKey is PTLYXBMSRAZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-10-4-5-12(14(19)8-10)17(25)21-7-6-20-16(24)11-2-1-3-15-13(11)9-22-23-15/h1-5,8-9H,6-7H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide?
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 51101844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).