2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide

C14H17BrN4O — CID 66130419

IUPAC2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
SMILESCCCn1cncc1C(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C14H17BrN4O/c1-2-7-19-9-17-8-12(19)13(14(16)20)18-11-6-4-3-5-10(11)15/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20)
InChIKeyVYVBODMPOVFSLG-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.69
Rot. Bonds6

About 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide

2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide (PubChem CID 66130419) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
PubChem CID66130419
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
SMILESCCCn1cncc1C(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C14H17BrN4O/c1-2-7-19-9-17-8-12(19)13(14(16)20)18-11-6-4-3-5-10(11)15/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20)
InChIKeyVYVBODMPOVFSLG-UHFFFAOYSA-N
XLogP2.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162816
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
ethyl 2-anilino-2-(3-propylimidazol-4-yl)acetate
CID 66130621
2-(cyclopropylamino)-2-(3-propylimidazol-4-yl)acetamide
CID 66131418
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134961
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
2-(2-bromoanilino)-2-(2-bromophenyl)acetamide
CID 54892174
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
CID 66133494
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
2-(2-methylpropylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130024

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide (CID 66130419) is 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide is CCCn1cncc1C(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide?
The InChIKey is VYVBODMPOVFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-2-7-19-9-17-8-12(19)13(14(16)20)18-11-6-4-3-5-10(11)15/h3-6,8-9,13,18H,2,7H2,1H3,(H2,16,20).
What are the key properties of 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide?
2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide is sourced from PubChem (CID 66130419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).