2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide

C17H13Cl2N3O — CID 175907363

IUPAC2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide
SMILESNC(=Cc1ccccc1Cl)C(=O)Nc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H13Cl2N3O/c18-12-5-6-15-11(7-12)9-16(21-15)22-17(23)14(20)8-10-3-1-2-4-13(10)19/h1-9,21H,20H2,(H,22,23)
InChIKeyJNCJBPCSKVNBBK-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.41
Rot. Bonds3

About 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide

2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 175907363) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide
PubChem CID175907363
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide
SMILESNC(=Cc1ccccc1Cl)C(=O)Nc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H13Cl2N3O/c18-12-5-6-15-11(7-12)9-16(21-15)22-17(23)14(20)8-10-3-1-2-4-13(10)19/h1-9,21H,20H2,(H,22,23)
InChIKeyJNCJBPCSKVNBBK-UHFFFAOYSA-N
XLogP4.41
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide
CID 59992552
6-chloro-3-(2-chlorophenyl)-1H-quinolin-2-one
CID 175986365
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
CID 131965590
chloro N-(1H-indol-2-yl)carbamate
CID 174677081
5-chloro-1H-indole-2-carboxylate
CID 6933350
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 113088846
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
2-[(2-chlorophenyl)methylidene]-3-oxobutanamide
CID 3496380
N-(5-chloro-1H-indol-2-yl)-6-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 10126335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide (CID 175907363) is 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide is NC(=Cc1ccccc1Cl)C(=O)Nc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is JNCJBPCSKVNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-12-5-6-15-11(7-12)9-16(21-15)22-17(23)14(20)8-10-3-1-2-4-13(10)19/h1-9,21H,20H2,(H,22,23).
What are the key properties of 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide?
2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 346.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-1H-indol-2-yl)-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 175907363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).