N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

C18H15ClN4O — CID 725007

IUPACN-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H15ClN4O/c19-17-7-2-4-14(11-17)12-20-22-18(24)16-6-1-5-15(10-16)13-23-9-3-8-21-23/h1-12H,13H2,(H,22,24)
InChIKeyVIZXFUUPEHSMOE-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.35
Rot. Bonds5

About N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 725007) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID725007
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H15ClN4O/c19-17-7-2-4-14(11-17)12-20-22-18(24)16-6-1-5-15(10-16)13-23-9-3-8-21-23/h1-12H,13H2,(H,22,24)
InChIKeyVIZXFUUPEHSMOE-UHFFFAOYSA-N
XLogP3.35
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5397773
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 136858110
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268478
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 135688732
1-[(3-bromophenyl)methyl]-N-[(3-chlorophenyl)methylideneamino]pyrazole-3-carboxamide
CID 1268541
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
4-(dihydroxyamino)-2-nitro-6-[(E)-[[3-(pyrazol-1-ylmethyl)benzoyl]hydrazinylidene]methyl]phenolate
CID 137215945

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (CID 725007) is N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is O=C(NN=Cc1cccc(Cl)c1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is VIZXFUUPEHSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-17-7-2-4-14(11-17)12-20-22-18(24)16-6-1-5-15(10-16)13-23-9-3-8-21-23/h1-12H,13H2,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 338.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 725007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).