N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide

C19H17ClN4O2 — CID 8979035

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H17ClN4O2/c20-17-8-4-5-9-18(17)26-14-19(25)23-21-10-16-11-22-24(13-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,25)/b21-10-
InChIKeyPACAEWASFUUFRO-FBHDLOMBSA-N
MW368.82 g/mol
LogP3.11
Rot. Bonds7

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide (PubChem CID 8979035) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
PubChem CID8979035
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H17ClN4O2/c20-17-8-4-5-9-18(17)26-14-19(25)23-21-10-16-11-22-24(13-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,25)/b21-10-
InChIKeyPACAEWASFUUFRO-FBHDLOMBSA-N
XLogP3.11
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 8979050
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 8979040
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 8980345
1-benzyl-N'-[2-(2-chlorophenoxy)acetyl]pyrazole-4-carbohydrazide
CID 9321612
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 8981663

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide (CID 8979035) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)N/N=C\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide?
The InChIKey is PACAEWASFUUFRO-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-17-8-4-5-9-18(17)26-14-19(25)23-21-10-16-11-22-24(13-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,25)/b21-10-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide has a molecular weight of 368.82 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 8979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).