2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide

C15H22Cl2N2O — CID 115597077

IUPAC2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-9(2)8-18-15(20)11(4)19-10(3)13-7-12(16)5-6-14(13)17/h5-7,9-11,19H,8H2,1-4H3,(H,18,20)
InChIKeyIZPSQEMUIKVVBM-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.80
Rot. Bonds6

About 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide

2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide (PubChem CID 115597077) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide
PubChem CID115597077
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-9(2)8-18-15(20)11(4)19-10(3)13-7-12(16)5-6-14(13)17/h5-7,9-11,19H,8H2,1-4H3,(H,18,20)
InChIKeyIZPSQEMUIKVVBM-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
CID 43112448
methyl 2-[1-(2,5-dichlorophenyl)ethylamino]-4-methylpentanoate
CID 43688973
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 102615921

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide (CID 115597077) is 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is IZPSQEMUIKVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-9(2)8-18-15(20)11(4)19-10(3)13-7-12(16)5-6-14(13)17/h5-7,9-11,19H,8H2,1-4H3,(H,18,20).
What are the key properties of 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide?
2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 317.26 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115597077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).