2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

C12H16ClN3O — CID 21392875

IUPAC2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
SMILESC/C(=N\c1ccc(NC(=O)CCl)cc1)N(C)C
InChIInChI=1S/C12H16ClN3O/c1-9(16(2)3)14-10-4-6-11(7-5-10)15-12(17)8-13/h4-7H,8H2,1-3H3,(H,15,17)/b14-9+
InChIKeyUJXADRYBBUTGAC-NTEUORMPSA-N
MW253.73 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide

2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide (PubChem CID 21392875) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
PubChem CID21392875
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
SMILESC/C(=N\c1ccc(NC(=O)CCl)cc1)N(C)C
InChIInChI=1S/C12H16ClN3O/c1-9(16(2)3)14-10-4-6-11(7-5-10)15-12(17)8-13/h4-7H,8H2,1-3H3,(H,15,17)/b14-9+
InChIKeyUJXADRYBBUTGAC-NTEUORMPSA-N
XLogP2.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.48
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-(diethylamino)-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
CID 21392890
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-chloro-N-[4-(sulfonylamino)phenyl]acetamide
CID 87887143
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
CID 139650052
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
CID 4854669
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
CID 11369740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide (CID 21392875) is 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide is C/C(=N\c1ccc(NC(=O)CCl)cc1)N(C)C.
What is the InChIKey of 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
The InChIKey is UJXADRYBBUTGAC-NTEUORMPSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-9(16(2)3)14-10-4-6-11(7-5-10)15-12(17)8-13/h4-7H,8H2,1-3H3,(H,15,17)/b14-9+.
What are the key properties of 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide?
2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide has a molecular weight of 253.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide is sourced from PubChem (CID 21392875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).