chloromethane;N,N'-diphenylmethanediimine

C15H16Cl2N2 — CID 160533177

IUPACchloromethane;N,N'-diphenylmethanediimine
SMILESC(=Nc1ccccc1)=Nc1ccccc1.CCl.CCl
InChIInChI=1S/C13H10N2.2CH3Cl/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-2/h1-10H;2*1H3
InChIKeyQVUXAKVUJWNZCB-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.53
Rot. Bonds2

About chloromethane;N,N'-diphenylmethanediimine

chloromethane;N,N'-diphenylmethanediimine (PubChem CID 160533177) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is chloromethane;N,N'-diphenylmethanediimine.

Molecular Properties

Compound Namechloromethane;N,N'-diphenylmethanediimine
PubChem CID160533177
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Namechloromethane;N,N'-diphenylmethanediimine
SMILESC(=Nc1ccccc1)=Nc1ccccc1.CCl.CCl
InChIInChI=1S/C13H10N2.2CH3Cl/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-2/h1-10H;2*1H3
InChIKeyQVUXAKVUJWNZCB-UHFFFAOYSA-N
XLogP5.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-diphenylmethanediimine;fluoromethane
CID 158642010
anisole;N,N'-diphenylmethanediimine
CID 157139667
N'-(2,3-dimethylphenyl)-N-phenylmethanediimine
CID 154114058
N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine
CID 10489748
4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol
CID 56983178
N'-(2,3-diethylphenyl)-N-phenylmethanediimine
CID 87072891
N'-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)iminomethylideneamino]phenyl]methanediimine
CID 87327980
(15N)isocyanatobenzene
CID 71309417
isocyanatobenzene;methylsulfanylmethane
CID 160823908
isothiocyanatobenzene;sulfane
CID 159826768
benzene;ethane;isocyanatobenzene;propane
CID 158706801
N'-pentoxy-N-phenylmethanediimine
CID 174274444

Frequently Asked Questions

What is the IUPAC name of chloromethane;N,N'-diphenylmethanediimine?
The IUPAC name of chloromethane;N,N'-diphenylmethanediimine (CID 160533177) is chloromethane;N,N'-diphenylmethanediimine.
What is the SMILES notation for chloromethane;N,N'-diphenylmethanediimine?
The canonical SMILES for chloromethane;N,N'-diphenylmethanediimine is C(=Nc1ccccc1)=Nc1ccccc1.CCl.CCl.
What is the InChIKey of chloromethane;N,N'-diphenylmethanediimine?
The InChIKey is QVUXAKVUJWNZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.2CH3Cl/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*1-2/h1-10H;2*1H3.
What are the key properties of chloromethane;N,N'-diphenylmethanediimine?
chloromethane;N,N'-diphenylmethanediimine has a molecular weight of 295.21 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N,N'-diphenylmethanediimine is sourced from PubChem (CID 160533177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).