N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide

C11H10BrClN4O — CID 103824710

IUPACN-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClN4O/c12-9-2-1-8(7-10(9)13)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)
InChIKeyWXDRTOJPPNLLBK-UHFFFAOYSA-N
MW329.59 g/mol
LogP2.72
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide

N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide (PubChem CID 103824710) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
PubChem CID103824710
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClN4O/c12-9-2-1-8(7-10(9)13)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)
InChIKeyWXDRTOJPPNLLBK-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714
N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
CID 102820490
N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
CID 103789698
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61128800
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide (CID 103824710) is N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide?
The InChIKey is WXDRTOJPPNLLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c12-9-2-1-8(7-10(9)13)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide?
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide has a molecular weight of 329.59 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 103824710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).