N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide

C17H14ClN3O — CID 134876078

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)N/N=C\c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-14-6-3-4-12(8-14)11-19-21-17(22)10-15-9-13-5-1-2-7-16(13)20-15/h1-9,11,20H,10H2,(H,21,22)/b19-11-
InChIKeyFTWQRYUKOPVMDM-ODLFYWEKSA-N
MW311.77 g/mol
LogP3.51
Rot. Bonds4

About N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide (PubChem CID 134876078) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
PubChem CID134876078
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)N/N=C\c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-14-6-3-4-12(8-14)11-19-21-17(22)10-15-9-13-5-1-2-7-16(13)20-15/h1-9,11,20H,10H2,(H,21,22)/b19-11-
InChIKeyFTWQRYUKOPVMDM-ODLFYWEKSA-N
XLogP3.51
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide (CID 134876078) is N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide is O=C(Cc1cc2ccccc2[nH]1)N/N=C\c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
The InChIKey is FTWQRYUKOPVMDM-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-14-6-3-4-12(8-14)11-19-21-17(22)10-15-9-13-5-1-2-7-16(13)20-15/h1-9,11,20H,10H2,(H,21,22)/b19-11-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide has a molecular weight of 311.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide is sourced from PubChem (CID 134876078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).