2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide

C17H18Cl2N2O — CID 2408074

IUPAC2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-12(2)21(14-6-4-3-5-7-14)17(22)11-20-16-10-13(18)8-9-15(16)19/h3-10,12,20H,11H2,1-2H3
InChIKeyKNMVPUKLIKYJDD-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.85
Rot. Bonds5

About 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide

2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 2408074) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
PubChem CID2408074
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-12(2)21(14-6-4-3-5-7-14)17(22)11-20-16-10-13(18)8-9-15(16)19/h3-10,12,20H,11H2,1-2H3
InChIKeyKNMVPUKLIKYJDD-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(4-chloro-2,5-dimethoxyanilino)-N-phenyl-N-propan-2-ylacetamide
CID 30573201
2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 31773500
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 30633364
2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 43385741
2-(benzhydrylamino)-N-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 68964750
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113
methyl 2-[3-methyl-4-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenoxy]acetate
CID 60538721
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
2-[2-(morpholin-4-ylmethyl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 55918198

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide (CID 2408074) is 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CNc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is KNMVPUKLIKYJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12(2)21(14-6-4-3-5-7-14)17(22)11-20-16-10-13(18)8-9-15(16)19/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide?
2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 337.25 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 2408074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).