N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide

C19H17ClN4O3 — CID 6873961

IUPACN-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1
InChIInChI=1S/C19H17ClN4O3/c1-27-18-7-6-13(8-14(18)11-24-12-15(20)10-22-24)9-21-23-19(26)16-4-2-3-5-17(16)25/h2-10,12,25H,11H2,1H3,(H,23,26)/b21-9+
InChIKeySNYIUBGWQKBXMR-ZVBGSRNCSA-N
MW384.82 g/mol
LogP3.06
Rot. Bonds6

About N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide

N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 6873961) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID6873961
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1
InChIInChI=1S/C19H17ClN4O3/c1-27-18-7-6-13(8-14(18)11-24-12-15(20)10-22-24)9-21-23-19(26)16-4-2-3-5-17(16)25/h2-10,12,25H,11H2,1H3,(H,23,26)/b21-9+
InChIKeySNYIUBGWQKBXMR-ZVBGSRNCSA-N
XLogP3.06
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide (CID 6873961) is N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide is COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1.
What is the InChIKey of N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is SNYIUBGWQKBXMR-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-27-18-7-6-13(8-14(18)11-24-12-15(20)10-22-24)9-21-23-19(26)16-4-2-3-5-17(16)25/h2-10,12,25H,11H2,1H3,(H,23,26)/b21-9+.
What are the key properties of N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide?
N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 384.82 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 6873961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).