2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide

C10H7Cl3N4O — CID 162758267

IUPAC2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1cc(Cl)ccc1-n1cc(Cl)nn1
InChIInChI=1S/C10H7Cl3N4O/c11-4-10(18)14-7-3-6(12)1-2-8(7)17-5-9(13)15-16-17/h1-3,5H,4H2,(H,14,18)
InChIKeyNPUQVSRADLOZOU-UHFFFAOYSA-N
MW305.55 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide

2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide (PubChem CID 162758267) has the molecular formula C10H7Cl3N4O and a molecular weight of 305.55 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide
PubChem CID162758267
Molecular FormulaC10H7Cl3N4O
Molecular Weight305.55 g/mol
Exact Mass303.97
IUPAC Name2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1cc(Cl)ccc1-n1cc(Cl)nn1
InChIInChI=1S/C10H7Cl3N4O/c11-4-10(18)14-7-3-6(12)1-2-8(7)17-5-9(13)15-16-17/h1-3,5H,4H2,(H,14,18)
InChIKeyNPUQVSRADLOZOU-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(2-chloroacetyl)-[2-[5-chloro-2-(4-chlorotriazol-1-yl)anilino]-2-oxoethyl]amino]-3-(4-chlorophenyl)propanoate
CID 162758117
tert-butyl 2-[(2-chloroacetyl)-[2-[5-chloro-2-(4-chlorotriazol-1-yl)anilino]-2-oxoethyl]amino]-3-cyclobutylpropanoate
CID 162758189
tert-butyl 2-[[2-[5-chloro-2-(4-chlorotriazol-1-yl)anilino]-2-oxoethyl]amino]-3-(4-methylphenyl)propanoate
CID 162758152
tert-butyl 2-[(2-chloroacetyl)-[2-[5-chloro-2-(4-chlorotriazol-1-yl)anilino]-2-oxoethyl]amino]-3-(3-fluorophenyl)propanoate
CID 162758060
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
tert-butyl 2-[chloro-[4-[5-chloro-2-(4-chlorotriazol-1-yl)anilino]-4-oxobutanoyl]amino]-3-(2,4-difluorophenyl)propanoate
CID 170342449
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)propanamide
CID 62833924
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide (CID 162758267) is 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide is O=C(CCl)Nc1cc(Cl)ccc1-n1cc(Cl)nn1.
What is the InChIKey of 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide?
The InChIKey is NPUQVSRADLOZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4O/c11-4-10(18)14-7-3-6(12)1-2-8(7)17-5-9(13)15-16-17/h1-3,5H,4H2,(H,14,18).
What are the key properties of 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide?
2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide has a molecular weight of 305.55 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 162758267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).