N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H10ClIN4O — CID 113255623

IUPACN-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cc(I)ccc1Cl
InChIInChI=1S/C11H10ClIN4O/c12-9-2-1-8(13)5-10(9)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18)
InChIKeyJKEZZTGYEPGSQS-UHFFFAOYSA-N
MW376.59 g/mol
LogP2.56
Rot. Bonds4

About N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 113255623) has the molecular formula C11H10ClIN4O and a molecular weight of 376.59 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID113255623
Molecular FormulaC11H10ClIN4O
Molecular Weight376.59 g/mol
Exact Mass375.96
IUPAC NameN-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1cc(I)ccc1Cl
InChIInChI=1S/C11H10ClIN4O/c12-9-2-1-8(13)5-10(9)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18)
InChIKeyJKEZZTGYEPGSQS-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62915060
N-(4-chloro-2-fluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663704
4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28789404
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103094459
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 81259853
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
4-bromo-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 107812375
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 81268848
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 113255623) is N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1cc(I)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JKEZZTGYEPGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN4O/c12-9-2-1-8(13)5-10(9)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18).
What are the key properties of N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 376.59 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 113255623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).