N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride

C21H22Cl2N2O — CID 173455365

IUPACN'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride
SMILESC/C(N)=N\C(c1ccccc1)(c1ccccc1)c1ccccc1Cl.Cl.O
InChIInChI=1S/C21H19ClN2.ClH.H2O/c1-16(23)24-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)19-14-8-9-15-20(19)22;;/h2-15H,1H3,(H2,23,24);1H;1H2
InChIKeyKPKDYRQMAKVYTP-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.61
Rot. Bonds4

About N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride

N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride (PubChem CID 173455365) has the molecular formula C21H22Cl2N2O and a molecular weight of 389.33 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride
PubChem CID173455365
Molecular FormulaC21H22Cl2N2O
Molecular Weight389.33 g/mol
Exact Mass388.11
IUPAC NameN'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride
SMILESC/C(N)=N\C(c1ccccc1)(c1ccccc1)c1ccccc1Cl.Cl.O
InChIInChI=1S/C21H19ClN2.ClH.H2O/c1-16(23)24-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)19-14-8-9-15-20(19)22;;/h2-15H,1H3,(H2,23,24);1H;1H2
InChIKeyKPKDYRQMAKVYTP-UHFFFAOYSA-N
XLogP4.61
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride?
The IUPAC name of N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride (CID 173455365) is N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride.
What is the SMILES notation for N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride?
The canonical SMILES for N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride is C/C(N)=N\C(c1ccccc1)(c1ccccc1)c1ccccc1Cl.Cl.O.
What is the InChIKey of N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride?
The InChIKey is KPKDYRQMAKVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2.ClH.H2O/c1-16(23)24-21(17-10-4-2-5-11-17,18-12-6-3-7-13-18)19-14-8-9-15-20(19)22;;/h2-15H,1H3,(H2,23,24);1H;1H2.
What are the key properties of N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride?
N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride has a molecular weight of 389.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride is sourced from PubChem (CID 173455365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).