N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide

C17H15ClN4O3 — CID 22319541

IUPACN-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc([N+](=O)[O-])cc3)cc12
InChIInChI=1S/C17H15ClN4O3/c1-2-3-16(23)19-17-13-8-12(14(18)9-15(13)20-21-17)10-4-6-11(7-5-10)22(24)25/h4-9H,2-3H2,1H3,(H2,19,20,21,23)
InChIKeyRUBSILGMNGZJMZ-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.53
Rot. Bonds5

About N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide

N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319541) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319541
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc([N+](=O)[O-])cc3)cc12
InChIInChI=1S/C17H15ClN4O3/c1-2-3-16(23)19-17-13-8-12(14(18)9-15(13)20-21-17)10-4-6-11(7-5-10)22(24)25/h4-9H,2-3H2,1H3,(H2,19,20,21,23)
InChIKeyRUBSILGMNGZJMZ-UHFFFAOYSA-N
XLogP4.53
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
N-(6-chloro-1H-indazol-3-yl)butyramide
CID 10421683
N-(6-chloro-5-p-tolyl-1H-indazol-3-yl)butyramide
CID 22319511
N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
CID 22319604
N-(6-(2-chlorophenyl)-1H-indazol-3-yl)butyramide
CID 10380885
N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine
CID 9882765
1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 10068140
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-N'-phenylurea
CID 10248119
N-(6-chloro-1H-indazol-3-yl)propanamide
CID 10466174
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
CID 21079218
(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 21079223
N-(6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl)butyramide
CID 22319598

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide (CID 22319541) is N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc([N+](=O)[O-])cc3)cc12.
What is the InChIKey of N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is RUBSILGMNGZJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-2-3-16(23)19-17-13-8-12(14(18)9-15(13)20-21-17)10-4-6-11(7-5-10)22(24)25/h4-9H,2-3H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide?
N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 358.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(4-nitrophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).