1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide

C18H16Cl2N2O2 — CID 135452614

IUPAC1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1Cc2ccccc2C1C(Cl)Cl
InChIInChI=1S/C18H16Cl2N2O2/c19-17(20)16-13-7-3-1-5-11(13)9-14(16)18(24)22-21-10-12-6-2-4-8-15(12)23/h1-8,10,14,16-17,23H,9H2,(H,22,24)/b21-10+
InChIKeyHUGRKRXTSNUAFA-UFFVCSGVSA-N
MW363.24 g/mol
LogP3.60
Rot. Bonds4

About 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide

1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 135452614) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID135452614
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1Cc2ccccc2C1C(Cl)Cl
InChIInChI=1S/C18H16Cl2N2O2/c19-17(20)16-13-7-3-1-5-11(13)9-14(16)18(24)22-21-10-12-6-2-4-8-15(12)23/h1-8,10,14,16-17,23H,9H2,(H,22,24)/b21-10+
InChIKeyHUGRKRXTSNUAFA-UFFVCSGVSA-N
XLogP3.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide (CID 135452614) is 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide is O=C(N/N=C/c1ccccc1O)C1Cc2ccccc2C1C(Cl)Cl.
What is the InChIKey of 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is HUGRKRXTSNUAFA-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-17(20)16-13-7-3-1-5-11(13)9-14(16)18(24)22-21-10-12-6-2-4-8-15(12)23/h1-8,10,14,16-17,23H,9H2,(H,22,24)/b21-10+.
What are the key properties of 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide?
1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 135452614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).