2-(3-chloroanilino)-N,N-diethylacetamide

C12H17ClN2O — CID 28580548

IUPAC2-(3-chloroanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-15(4-2)12(16)9-14-11-7-5-6-10(13)8-11/h5-8,14H,3-4,9H2,1-2H3
InChIKeyIOHQJLVAGMEXKX-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.62
Rot. Bonds5

About 2-(3-chloroanilino)-N,N-diethylacetamide

2-(3-chloroanilino)-N,N-diethylacetamide (PubChem CID 28580548) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N,N-diethylacetamide
PubChem CID28580548
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(3-chloroanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-15(4-2)12(16)9-14-11-7-5-6-10(13)8-11/h5-8,14H,3-4,9H2,1-2H3
InChIKeyIOHQJLVAGMEXKX-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
1-(3-chloroanilino)propan-2-one
CID 21364413
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038
propyl 2-(3-chloroanilino)acetate
CID 60835010
3-chloro-N-(2-methylidenebutyl)aniline
CID 66044968

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(3-chloroanilino)-N,N-diethylacetamide (CID 28580548) is 2-(3-chloroanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-chloroanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CNc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-N,N-diethylacetamide?
The InChIKey is IOHQJLVAGMEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-15(4-2)12(16)9-14-11-7-5-6-10(13)8-11/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-chloroanilino)-N,N-diethylacetamide?
2-(3-chloroanilino)-N,N-diethylacetamide has a molecular weight of 240.73 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N,N-diethylacetamide is sourced from PubChem (CID 28580548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).