N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide

C17H17Cl3N2O — CID 109027992

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
SMILESO=C(CCNc1cccc(Cl)c1Cl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl3N2O/c18-13-6-4-12(5-7-13)8-10-22-16(23)9-11-21-15-3-1-2-14(19)17(15)20/h1-7,21H,8-11H2,(H,22,23)
InChIKeyQZWAFFQMTUDKFH-UHFFFAOYSA-N
MW371.70 g/mol
LogP4.81
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide (PubChem CID 109027992) has the molecular formula C17H17Cl3N2O and a molecular weight of 371.70 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
PubChem CID109027992
Molecular FormulaC17H17Cl3N2O
Molecular Weight371.70 g/mol
Exact Mass370.04
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
SMILESO=C(CCNc1cccc(Cl)c1Cl)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl3N2O/c18-13-6-4-12(5-7-13)8-10-22-16(23)9-11-21-15-3-1-2-14(19)17(15)20/h1-7,21H,8-11H2,(H,22,23)
InChIKeyQZWAFFQMTUDKFH-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.70
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide
CID 109031980
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
CID 109030837
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
3-(2,3-dichloroanilino)propanamide
CID 43152512
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide (CID 109027992) is N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide is O=C(CCNc1cccc(Cl)c1Cl)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide?
The InChIKey is QZWAFFQMTUDKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O/c18-13-6-4-12(5-7-13)8-10-22-16(23)9-11-21-15-3-1-2-14(19)17(15)20/h1-7,21H,8-11H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide has a molecular weight of 371.70 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide is sourced from PubChem (CID 109027992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).