3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide

C17H18Cl2N2O — CID 109036498

IUPAC3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-21(16-6-4-3-5-7-16)17(22)8-9-20-15-11-13(18)10-14(19)12-15/h3-7,10-12,20H,2,8-9H2,1H3
InChIKeyDQWZPSKIQCVPSJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.85
Rot. Bonds6

About 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide

3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 109036498) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
PubChem CID109036498
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-21(16-6-4-3-5-7-16)17(22)8-9-20-15-11-13(18)10-14(19)12-15/h3-7,10-12,20H,2,8-9H2,1H3
InChIKeyDQWZPSKIQCVPSJ-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
3-(3-bromo-4-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036446
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
CID 60536225
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 109036429
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide (CID 109036498) is 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCNc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is DQWZPSKIQCVPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-2-21(16-6-4-3-5-7-16)17(22)8-9-20-15-11-13(18)10-14(19)12-15/h3-7,10-12,20H,2,8-9H2,1H3.
What are the key properties of 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide?
3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 337.25 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 109036498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).