3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide

C17H19ClN2O — CID 109036434

IUPAC3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-2-20(14-8-4-3-5-9-14)17(21)12-13-19-16-11-7-6-10-15(16)18/h3-11,19H,2,12-13H2,1H3
InChIKeyCJLZZIVRZIPHKV-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.20
Rot. Bonds6

About 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide

3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 109036434) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
PubChem CID109036434
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-2-20(14-8-4-3-5-9-14)17(21)12-13-19-16-11-7-6-10-15(16)18/h3-11,19H,2,12-13H2,1H3
InChIKeyCJLZZIVRZIPHKV-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036498
N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-(3-bromo-4-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036446
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
N-benzyl-2-(2-chloroanilino)-N-phenylacetamide
CID 109008415
3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 109034616
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide (CID 109036434) is 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCNc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is CJLZZIVRZIPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-20(14-8-4-3-5-9-14)17(21)12-13-19-16-11-7-6-10-15(16)18/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide?
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 109036434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).