(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide

C15H19Cl2N3O2 — CID 45101407

IUPAC(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
SMILESCO/N=C(/CCC(=O)NC1CCNC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-22-20-14(10-2-3-12(16)13(17)8-10)4-5-15(21)19-11-6-7-18-9-11/h2-3,8,11,18H,4-7,9H2,1H3,(H,19,21)/b20-14-
InChIKeyAPDZQSQCDJCWMN-ZHZULCJRSA-N
MW344.24 g/mol
LogP2.60
Rot. Bonds6

About (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide

(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide (PubChem CID 45101407) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
PubChem CID45101407
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
SMILESCO/N=C(/CCC(=O)NC1CCNC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O2/c1-22-20-14(10-2-3-12(16)13(17)8-10)4-5-15(21)19-11-6-7-18-9-11/h2-3,8,11,18H,4-7,9H2,1H3,(H,19,21)/b20-14-
InChIKeyAPDZQSQCDJCWMN-ZHZULCJRSA-N
XLogP2.60
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
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

(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119450584
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide (CID 45101407) is (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide is CO/N=C(/CCC(=O)NC1CCNC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide?
The InChIKey is APDZQSQCDJCWMN-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-22-20-14(10-2-3-12(16)13(17)8-10)4-5-15(21)19-11-6-7-18-9-11/h2-3,8,11,18H,4-7,9H2,1H3,(H,19,21)/b20-14-.
What are the key properties of (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide?
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide has a molecular weight of 344.24 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 45101407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).