(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide

C14H18Cl2N2O3 — CID 45101354

IUPAC(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
SMILESCO/N=C(/CCC(=O)NCC(C)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-9(19)8-17-14(20)6-5-13(18-21-2)10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,17,20)/b18-13-
InChIKeyUOTNZRFBYIVIMK-AQTBWJFISA-N
MW333.22 g/mol
LogP2.62
Rot. Bonds7

About (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide

(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide (PubChem CID 45101354) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide.

Molecular Properties

Compound Name(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
PubChem CID45101354
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
SMILESCO/N=C(/CCC(=O)NCC(C)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-9(19)8-17-14(20)6-5-13(18-21-2)10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,17,20)/b18-13-
InChIKeyUOTNZRFBYIVIMK-AQTBWJFISA-N
XLogP2.62
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.62
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

(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
4-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-ethoxyiminobutanamide
CID 122625626
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802
5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 76785955

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide?
The IUPAC name of (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide (CID 45101354) is (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide.
What is the SMILES notation for (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide?
The canonical SMILES for (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide is CO/N=C(/CCC(=O)NCC(C)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide?
The InChIKey is UOTNZRFBYIVIMK-AQTBWJFISA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-9(19)8-17-14(20)6-5-13(18-21-2)10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,17,20)/b18-13-.
What are the key properties of (4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide?
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide has a molecular weight of 333.22 g/mol, XLogP of 2.62, 7 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)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide is sourced from PubChem (CID 45101354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).