4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide

C18H16ClN5O3 — CID 30760557

IUPAC4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H16ClN5O3/c1-27-16-8-14(19)6-7-15(16)18(26)23-22-17(25)13-4-2-12(3-5-13)9-24-11-20-10-21-24/h2-8,10-11H,9H2,1H3,(H,22,25)(H,23,26)
InChIKeyOUAFJZDIJHASHB-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.06
Rot. Bonds5

About 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide

4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide (PubChem CID 30760557) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
PubChem CID30760557
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H16ClN5O3/c1-27-16-8-14(19)6-7-15(16)18(26)23-22-17(25)13-4-2-12(3-5-13)9-24-11-20-10-21-24/h2-8,10-11H,9H2,1H3,(H,22,25)(H,23,26)
InChIKeyOUAFJZDIJHASHB-UHFFFAOYSA-N
XLogP2.06
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017921
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
CID 42063957
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
(4-methoxycarbonylphenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 17465672
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18145614
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141816
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
The IUPAC name of 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide (CID 30760557) is 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
The canonical SMILES for 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
The InChIKey is OUAFJZDIJHASHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-27-16-8-14(19)6-7-15(16)18(26)23-22-17(25)13-4-2-12(3-5-13)9-24-11-20-10-21-24/h2-8,10-11H,9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide has a molecular weight of 385.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 30760557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).