[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone

C20H13ClN2O5 — CID 100817570

IUPAC[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)n1cc(CO)c2ccccc21
InChIInChI=1S/C20H13ClN2O5/c21-16-6-5-13(23(26)27)9-15(16)18-7-8-19(28-18)20(25)22-10-12(11-24)14-3-1-2-4-17(14)22/h1-10,24H,11H2
InChIKeyUZAGHWOCMZRZOQ-UHFFFAOYSA-N
MW396.79 g/mol
LogP4.64
Rot. Bonds4

About [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone

[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone (PubChem CID 100817570) has the molecular formula C20H13ClN2O5 and a molecular weight of 396.79 g/mol. Its IUPAC name is [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
PubChem CID100817570
Molecular FormulaC20H13ClN2O5
Molecular Weight396.79 g/mol
Exact Mass396.05
IUPAC Name[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)n1cc(CO)c2ccccc21
InChIInChI=1S/C20H13ClN2O5/c21-16-6-5-13(23(26)27)9-15(16)18-7-8-19(28-18)20(25)22-10-12(11-24)14-3-1-2-4-17(14)22/h1-10,24H,11H2
InChIKeyUZAGHWOCMZRZOQ-UHFFFAOYSA-N
XLogP4.64
TPSA98.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2-chloro-5-nitrophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689495
1-[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]indole-3-carbaldehyde
CID 100817588
1-[5-(2-methyl-5-nitrophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817550
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
CID 960728
1-[5-(2-nitrophenyl)furan-2-carbonyl]indole-3-carbaldehyde
CID 100817457
prop-2-ynyl 5-(2-chloro-5-nitrophenyl)furan-2-carboxylate
CID 95911155
2-methyl-1-[5-(2-methyl-5-nitrophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817553
1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689506
(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690472
1-[5-(4-methoxy-3-nitrophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689497
[3-(hydroxymethyl)indol-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 91690830
1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
CID 100817444

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
The IUPAC name of [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone (CID 100817570) is [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone.
What is the SMILES notation for [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
The canonical SMILES for [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone is O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)n1cc(CO)c2ccccc21.
What is the InChIKey of [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
The InChIKey is UZAGHWOCMZRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O5/c21-16-6-5-13(23(26)27)9-15(16)18-7-8-19(28-18)20(25)22-10-12(11-24)14-3-1-2-4-17(14)22/h1-10,24H,11H2.
What are the key properties of [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone has a molecular weight of 396.79 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone is sourced from PubChem (CID 100817570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).