N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide

C17H14ClN3O2 — CID 39309484

IUPACN-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C17H14ClN3O2/c18-12-6-4-11(5-7-12)10-20-16(22)17(23)21-15-3-1-2-14-13(15)8-9-19-14/h1-9,19H,10H2,(H,20,22)(H,21,23)
InChIKeyUORLECKJUROTFY-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide (PubChem CID 39309484) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
PubChem CID39309484
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C17H14ClN3O2/c18-12-6-4-11(5-7-12)10-20-16(22)17(23)21-15-3-1-2-14-13(15)8-9-19-14/h1-9,19H,10H2,(H,20,22)(H,21,23)
InChIKeyUORLECKJUROTFY-UHFFFAOYSA-N
XLogP3.08
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide 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-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 10066394
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39351756
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
CID 97266791
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide (CID 39309484) is N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide?
The InChIKey is UORLECKJUROTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-12-6-4-11(5-7-12)10-20-16(22)17(23)21-15-3-1-2-14-13(15)8-9-19-14/h1-9,19H,10H2,(H,20,22)(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide has a molecular weight of 327.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide is sourced from PubChem (CID 39309484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).