(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride

C24H22ClNO2 — CID 18930053

IUPAC(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1
InChIInChI=1S/C24H22ClNO2/c1-27-26-24(25)23-9-5-3-7-19(23)16-28-20-13-10-18(11-14-20)22-15-12-17-6-2-4-8-21(17)22/h2-11,13-14,22H,12,15-16H2,1H3/b26-24-
InChIKeyXNUVRWMWAHHRMJ-LCUIJRPUSA-N
MW391.90 g/mol
LogP5.89
Rot. Bonds6

About (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride

(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride (PubChem CID 18930053) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride
PubChem CID18930053
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC Name(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride
SMILESCO/N=C(\Cl)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1
InChIInChI=1S/C24H22ClNO2/c1-27-26-24(25)23-9-5-3-7-19(23)16-28-20-13-10-18(11-14-20)22-15-12-17-6-2-4-8-21(17)22/h2-11,13-14,22H,12,15-16H2,1H3/b26-24-
InChIKeyXNUVRWMWAHHRMJ-LCUIJRPUSA-N
XLogP5.89
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride (CID 18930053) is (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride is CO/N=C(\Cl)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1.
What is the InChIKey of (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride?
The InChIKey is XNUVRWMWAHHRMJ-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H22ClNO2/c1-27-26-24(25)23-9-5-3-7-19(23)16-28-20-13-10-18(11-14-20)22-15-12-17-6-2-4-8-21(17)22/h2-11,13-14,22H,12,15-16H2,1H3/b26-24-.
What are the key properties of (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride?
(1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride has a molecular weight of 391.90 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]-N-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 18930053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).