2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide

C17H17Cl2N3O — CID 50854202

IUPAC2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccn(C2CCCC2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-13-5-6-15(16(19)9-13)17(23)21-20-10-12-7-8-22(11-12)14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,23)/b20-10-
InChIKeyFQMJPXCIGUZYRE-JMIUGGIZSA-N
MW350.25 g/mol
LogP4.67
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide (PubChem CID 50854202) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
PubChem CID50854202
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccn(C2CCCC2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-13-5-6-15(16(19)9-13)17(23)21-20-10-12-7-8-22(11-12)14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,23)/b20-10-
InChIKeyFQMJPXCIGUZYRE-JMIUGGIZSA-N
XLogP4.67
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50854226
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
CID 50854256
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide
CID 50854205
2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
CID 57404080
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 50854369
N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
2,4-dichloro-N-(ethylideneamino)benzamide
CID 3608480
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide (CID 50854202) is 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccn(C2CCCC2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide?
The InChIKey is FQMJPXCIGUZYRE-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-13-5-6-15(16(19)9-13)17(23)21-20-10-12-7-8-22(11-12)14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,23)/b20-10-.
What are the key properties of 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide has a molecular weight of 350.25 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 50854202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).