N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide

C9H10ClFN2 — CID 131233035

IUPACN'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFN2/c1-13(2)6-12-9-4-3-7(10)5-8(9)11/h3-6H,1-2H3/b12-6+
InChIKeyXPARCUWQGONJKL-WUXMJOGZSA-N
MW200.64 g/mol
LogP2.70
Rot. Bonds2

About N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide

N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide (PubChem CID 131233035) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide
PubChem CID131233035
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC NameN'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFN2/c1-13(2)6-12-9-4-3-7(10)5-8(9)11/h3-6H,1-2H3/b12-6+
InChIKeyXPARCUWQGONJKL-WUXMJOGZSA-N
XLogP2.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine
CID 134330430
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 12906259
N'-[4-[3-(4-chloro-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 154664963
N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 86693802
N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25765
N'-(4-chloro-2-ethylphenyl)-N-[[(4-chloro-2-ethylphenyl)iminomethyl-methylamino]disulfanyl]-N-methylmethanimidamide
CID 54419483
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
methyl 2,5-dichloro-3-(dimethylaminomethylideneamino)benzoate
CID 91733961
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
ethyl (Z)-2-[(4-chloro-2-fluorophenyl)iminomethyl]-3-hydroxy-4-methylhex-2-enoate
CID 176977131

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide (CID 131233035) is N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(Cl)cc1F.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide?
The InChIKey is XPARCUWQGONJKL-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H10ClFN2/c1-13(2)6-12-9-4-3-7(10)5-8(9)11/h3-6H,1-2H3/b12-6+.
What are the key properties of N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide?
N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide has a molecular weight of 200.64 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 131233035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).