2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide

C12H16Cl2N2O — CID 54918479

IUPAC2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)16-12(3,11(15)17)9-5-4-8(13)6-10(9)14/h4-7,16H,1-3H3,(H2,15,17)
InChIKeyIRASQAPJVFDTFI-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.69
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide

2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide (PubChem CID 54918479) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
PubChem CID54918479
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)16-12(3,11(15)17)9-5-4-8(13)6-10(9)14/h4-7,16H,1-3H3,(H2,15,17)
InChIKeyIRASQAPJVFDTFI-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
2-(2,4-dichloro-5-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 60928878
2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377
2-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754391
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
CID 107707483
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
CID 118141013
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide (CID 54918479) is 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(C(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is IRASQAPJVFDTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(2)16-12(3,11(15)17)9-5-4-8(13)6-10(9)14/h4-7,16H,1-3H3,(H2,15,17).
What are the key properties of 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide?
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 275.18 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54918479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).