2-(4-bromophenyl)-2-(propylamino)propanamide

C12H17BrN2O — CID 60795515

IUPAC2-(4-bromophenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-8-15-12(2,11(14)16)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyCZVWOMDKIPJFGA-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-bromophenyl)-2-(propylamino)propanamide

2-(4-bromophenyl)-2-(propylamino)propanamide (PubChem CID 60795515) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(propylamino)propanamide
PubChem CID60795515
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(4-bromophenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-8-15-12(2,11(14)16)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyCZVWOMDKIPJFGA-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
2-(4-phenylphenyl)-2-(propylamino)propanamide
CID 60795385
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(propylamino)propanamide?
The IUPAC name of 2-(4-bromophenyl)-2-(propylamino)propanamide (CID 60795515) is 2-(4-bromophenyl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-(propylamino)propanamide?
The canonical SMILES for 2-(4-bromophenyl)-2-(propylamino)propanamide is CCCNC(C)(C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(propylamino)propanamide?
The InChIKey is CZVWOMDKIPJFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-8-15-12(2,11(14)16)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-(4-bromophenyl)-2-(propylamino)propanamide?
2-(4-bromophenyl)-2-(propylamino)propanamide has a molecular weight of 285.19 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(propylamino)propanamide is sourced from PubChem (CID 60795515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).