N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C20H19Cl2N5O3 — CID 86887302

IUPACN-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N5O3/c1-11(25-20(30)17-13-4-2-3-5-16(13)26-27-17)18(28)23-8-9-24-19(29)12-6-7-14(21)15(22)10-12/h2-7,10-11H,8-9H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)
InChIKeyIONAGAWGEUMSSL-UHFFFAOYSA-N
MW448.31 g/mol
LogP2.53
Rot. Bonds7

About N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 86887302) has the molecular formula C20H19Cl2N5O3 and a molecular weight of 448.31 g/mol. Its IUPAC name is N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID86887302
Molecular FormulaC20H19Cl2N5O3
Molecular Weight448.31 g/mol
Exact Mass447.09
IUPAC NameN-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N5O3/c1-11(25-20(30)17-13-4-2-3-5-16(13)26-27-17)18(28)23-8-9-24-19(29)12-6-7-14(21)15(22)10-12/h2-7,10-11H,8-9H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)
InChIKeyIONAGAWGEUMSSL-UHFFFAOYSA-N
XLogP2.53
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 86887251
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 86887302) is N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is IONAGAWGEUMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3/c1-11(25-20(30)17-13-4-2-3-5-16(13)26-27-17)18(28)23-8-9-24-19(29)12-6-7-14(21)15(22)10-12/h2-7,10-11H,8-9H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27).
What are the key properties of N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 448.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86887302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).