2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide

C13H19ClFN3O — CID 54891418

IUPAC2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFN3O/c1-13(12(16)19,17-6-7-18(2)3)9-4-5-11(15)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19)
InChIKeyCWYGHYXOSZZEPS-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.33
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide

2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 54891418) has the molecular formula C13H19ClFN3O and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
PubChem CID54891418
Molecular FormulaC13H19ClFN3O
Molecular Weight287.77 g/mol
Exact Mass287.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H19ClFN3O/c1-13(12(16)19,17-6-7-18(2)3)9-4-5-11(15)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19)
InChIKeyCWYGHYXOSZZEPS-UHFFFAOYSA-N
XLogP1.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001178
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (CID 54891418) is 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNC(C)(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is CWYGHYXOSZZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3O/c1-13(12(16)19,17-6-7-18(2)3)9-4-5-11(15)10(14)8-9/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 287.77 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 54891418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).