2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide

C19H18ClN5O2 — CID 55659343

IUPAC2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C19H18ClN5O2/c20-17-4-2-1-3-16(17)19(27)23-10-9-22-18(26)15-7-5-14(6-8-15)11-25-13-21-12-24-25/h1-8,12-13H,9-11H2,(H,22,26)(H,23,27)
InChIKeySAQUKNVNMZVUQU-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.14
Rot. Bonds7

About 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 55659343) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
PubChem CID55659343
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C19H18ClN5O2/c20-17-4-2-1-3-16(17)19(27)23-10-9-22-18(26)15-7-5-14(6-8-15)11-25-13-21-12-24-25/h1-8,12-13H,9-11H2,(H,22,26)(H,23,27)
InChIKeySAQUKNVNMZVUQU-UHFFFAOYSA-N
XLogP2.14
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 95167728
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24615849
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017921
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55556512
N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
CID 42063957
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide (CID 55659343) is 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is SAQUKNVNMZVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-17-4-2-1-3-16(17)19(27)23-10-9-22-18(26)15-7-5-14(6-8-15)11-25-13-21-12-24-25/h1-8,12-13H,9-11H2,(H,22,26)(H,23,27).
What are the key properties of 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 383.84 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).