N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide

C11H9Cl3N4O — CID 2332953

IUPACN-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide
SMILESO=C(N[C@H](n1cncn1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H9Cl3N4O/c12-11(13,14)10(18-7-15-6-16-18)17-9(19)8-4-2-1-3-5-8/h1-7,10H,(H,17,19)/t10-/m1/s1
InChIKeySRIUGCBXZFTZFB-SNVBAGLBSA-N
MW319.58 g/mol
LogP2.58
Rot. Bonds3

About N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide

N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide (PubChem CID 2332953) has the molecular formula C11H9Cl3N4O and a molecular weight of 319.58 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide
PubChem CID2332953
Molecular FormulaC11H9Cl3N4O
Molecular Weight319.58 g/mol
Exact Mass317.98
IUPAC NameN-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide
SMILESO=C(N[C@H](n1cncn1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H9Cl3N4O/c12-11(13,14)10(18-7-15-6-16-18)17-9(19)8-4-2-1-3-5-8/h1-7,10H,(H,17,19)/t10-/m1/s1
InChIKeySRIUGCBXZFTZFB-SNVBAGLBSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.58
LogP ≤ 52.58
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

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N-[4-(4-chlorophenyl)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]benzamide
CID 67557222
(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
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CID 666101
N-[1,2,2-trichloro-3-phenoxy-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 70619766
2-methyl-N-[2,2,3-trichloro-1-(1,2,4-triazol-1-yl)propyl]prop-2-enamide
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N-(2,2,2-trichloro-1-formamidoethyl)benzamide
CID 134108818
N-(2,2,2-trichloro-1-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 5001889
2-chloro-N-[(2R)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501663
2-chloro-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501662
(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide (CID 2332953) is N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide is O=C(N[C@H](n1cncn1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide?
The InChIKey is SRIUGCBXZFTZFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9Cl3N4O/c12-11(13,14)10(18-7-15-6-16-18)17-9(19)8-4-2-1-3-5-8/h1-7,10H,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide?
N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide has a molecular weight of 319.58 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trichloro-1-(1,2,4-triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 2332953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).