2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide

C17H18Cl2N2O — CID 54815882

IUPAC2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-14(12-7-4-3-5-8-12)21-16(22)11-20-15-10-6-9-13(18)17(15)19/h3-10,14,20H,2,11H2,1H3,(H,21,22)
InChIKeyDIWAODVJHYQTEZ-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.67
Rot. Bonds6

About 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide

2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 54815882) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
PubChem CID54815882
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-14(12-7-4-3-5-8-12)21-16(22)11-20-15-10-6-9-13(18)17(15)19/h3-10,14,20H,2,11H2,1H3,(H,21,22)
InChIKeyDIWAODVJHYQTEZ-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809490
N-(1-phenylpropyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54831184
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
CID 17174463
2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54825728
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide (CID 54815882) is 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CNc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is DIWAODVJHYQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-2-14(12-7-4-3-5-8-12)21-16(22)11-20-15-10-6-9-13(18)17(15)19/h3-10,14,20H,2,11H2,1H3,(H,21,22).
What are the key properties of 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide?
2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 337.25 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54815882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).