N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide

C18H14ClN3O4 — CID 84553097

IUPACN-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H14ClN3O4/c19-13-5-6-14(16(11-13)22(25)26)20-17(23)7-8-18(24)21-10-9-12-3-1-2-4-15(12)21/h1-6,9-11H,7-8H2,(H,20,23)
InChIKeyUZGZUMRTWBVPCM-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.26
Rot. Bonds5

About N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide

N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide (PubChem CID 84553097) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
PubChem CID84553097
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC NameN-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H14ClN3O4/c19-13-5-6-14(16(11-13)22(25)26)20-17(23)7-8-18(24)21-10-9-12-3-1-2-4-15(12)21/h1-6,9-11H,7-8H2,(H,20,23)
InChIKeyUZGZUMRTWBVPCM-UHFFFAOYSA-N
XLogP4.26
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 7693080
N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806301
N-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807032
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320
N-(4-chloro-2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 3390074
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 4843748
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
4-indol-1-yl-N-(3-methylsulfanylphenyl)-4-oxobutanamide
CID 84553091
N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31709417

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide (CID 84553097) is N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide is O=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide?
The InChIKey is UZGZUMRTWBVPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c19-13-5-6-14(16(11-13)22(25)26)20-17(23)7-8-18(24)21-10-9-12-3-1-2-4-15(12)21/h1-6,9-11H,7-8H2,(H,20,23).
What are the key properties of N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide?
N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide has a molecular weight of 371.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide is sourced from PubChem (CID 84553097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).