2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide

C9H10ClFN2 — CID 169364929

IUPAC2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
SMILESCc1cc(/N=C(/N)CCl)ccc1F
InChIInChI=1S/C9H10ClFN2/c1-6-4-7(2-3-8(6)11)13-9(12)5-10/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyQOTYSBDNTRAFBY-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide

2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide (PubChem CID 169364929) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
PubChem CID169364929
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
SMILESCc1cc(/N=C(/N)CCl)ccc1F
InChIInChI=1S/C9H10ClFN2/c1-6-4-7(2-3-8(6)11)13-9(12)5-10/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyQOTYSBDNTRAFBY-UHFFFAOYSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
N-[5-[(1-amino-2-chloroethylidene)amino]-2-fluorophenyl]-2-methylpropanamide
CID 169367913
N'-(3-fluoro-4-methylphenyl)propanimidamide
CID 63178981
ethyl 4-[(1-amino-2-chloroethylidene)amino]-2-methylbenzoate
CID 169369720
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
1-N'-(4-fluoro-3-methylphenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 118983745
N-[4-[(1-amino-2-chloroethylidene)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 169365950
2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide
CID 169365670
tert-butyl N-[5-[(1-amino-2-chloroethylidene)amino]-2-fluorophenyl]carbamate
CID 169367085
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide (CID 169364929) is 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide is Cc1cc(/N=C(/N)CCl)ccc1F.
What is the InChIKey of 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide?
The InChIKey is QOTYSBDNTRAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2/c1-6-4-7(2-3-8(6)11)13-9(12)5-10/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide?
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide has a molecular weight of 200.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide is sourced from PubChem (CID 169364929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).