2-(3-chloro-2-cyano-N-ethylanilino)acetamide

C11H12ClN3O — CID 103102393

IUPAC2-(3-chloro-2-cyano-N-ethylanilino)acetamide
SMILESCCN(CC(N)=O)c1cccc(Cl)c1C#N
InChIInChI=1S/C11H12ClN3O/c1-2-15(7-11(14)16)10-5-3-4-9(12)8(10)6-13/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyUXOZCYOXRGCMND-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.52
Rot. Bonds4

About 2-(3-chloro-2-cyano-N-ethylanilino)acetamide

2-(3-chloro-2-cyano-N-ethylanilino)acetamide (PubChem CID 103102393) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(3-chloro-2-cyano-N-ethylanilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-cyano-N-ethylanilino)acetamide
PubChem CID103102393
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(3-chloro-2-cyano-N-ethylanilino)acetamide
SMILESCCN(CC(N)=O)c1cccc(Cl)c1C#N
InChIInChI=1S/C11H12ClN3O/c1-2-15(7-11(14)16)10-5-3-4-9(12)8(10)6-13/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyUXOZCYOXRGCMND-UHFFFAOYSA-N
XLogP1.52
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminophenyl)methyl-ethylamino]-6-chlorobenzonitrile
CID 62496514
2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
2-(3-chloro-2-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 62495381
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
CID 63510789
2-(3-chloro-2-cyano-N-methylanilino)-N,N-diethylacetamide
CID 60678246
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
2-(N-tert-butyl-3-chloro-2-cyanoanilino)acetic acid
CID 79269086
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzonitrile
CID 62497864
2-(3-chloro-2-cyano-N-prop-2-enylanilino)acetic acid
CID 79265430
2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid
CID 55079550
methyl 3-[3-chloro-2-cyano-N-(2-methoxyethyl)anilino]propanoate
CID 115534536
2-(4-bromo-2-cyano-N-ethylanilino)acetamide
CID 103102407

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyano-N-ethylanilino)acetamide?
The IUPAC name of 2-(3-chloro-2-cyano-N-ethylanilino)acetamide (CID 103102393) is 2-(3-chloro-2-cyano-N-ethylanilino)acetamide.
What is the SMILES notation for 2-(3-chloro-2-cyano-N-ethylanilino)acetamide?
The canonical SMILES for 2-(3-chloro-2-cyano-N-ethylanilino)acetamide is CCN(CC(N)=O)c1cccc(Cl)c1C#N.
What is the InChIKey of 2-(3-chloro-2-cyano-N-ethylanilino)acetamide?
The InChIKey is UXOZCYOXRGCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-15(7-11(14)16)10-5-3-4-9(12)8(10)6-13/h3-5H,2,7H2,1H3,(H2,14,16).
What are the key properties of 2-(3-chloro-2-cyano-N-ethylanilino)acetamide?
2-(3-chloro-2-cyano-N-ethylanilino)acetamide has a molecular weight of 237.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyano-N-ethylanilino)acetamide is sourced from PubChem (CID 103102393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).