N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide

C11H14ClN3O — CID 169365647

IUPACN-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C11H14ClN3O/c1-8(16)15(2)10-5-3-4-9(6-10)14-11(13)7-12/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyHSHHUMNHVMFHIZ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.90
Rot. Bonds3

About N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide

N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide (PubChem CID 169365647) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide
PubChem CID169365647
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C11H14ClN3O/c1-8(16)15(2)10-5-3-4-9(6-10)14-11(13)7-12/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyHSHHUMNHVMFHIZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579
methyl N'-[3-[acetyl(methyl)amino]phenyl]-N-cyanocarbamimidothioate
CID 169360746
N-[4-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylbenzamide
CID 169368407
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
5-[(1-amino-2-chloroethylidene)amino]-2-(dimethylamino)benzamide
CID 169367761
2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide
CID 169366194
2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
3-[acetyl(methyl)amino]benzenesulfinate
CID 57245902
2-chloro-N'-(3-pyridin-4-ylphenyl)ethanimidamide
CID 169367803
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
2-chloro-N'-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanimidamide
CID 169367654

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide (CID 169365647) is N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(/N=C(/N)CCl)c1.
What is the InChIKey of N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide?
The InChIKey is HSHHUMNHVMFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8(16)15(2)10-5-3-4-9(6-10)14-11(13)7-12/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide?
N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide has a molecular weight of 239.71 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 169365647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).