N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide

C14H17Cl2NO2 — CID 89145055

IUPACN-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide
SMILESCC(C)C(C)(NC=O)/C(O)=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-9(2)14(3,17-8-18)13(19)6-10-4-5-11(15)7-12(10)16/h4-9,19H,1-3H3,(H,17,18)/b13-6-
InChIKeyBUKCWABWMPWCRU-MLPAPPSSSA-N
MW302.20 g/mol
LogP4.05
Rot. Bonds5

About N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide

N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide (PubChem CID 89145055) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide
PubChem CID89145055
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide
SMILESCC(C)C(C)(NC=O)/C(O)=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-9(2)14(3,17-8-18)13(19)6-10-4-5-11(15)7-12(10)16/h4-9,19H,1-3H3,(H,17,18)/b13-6-
InChIKeyBUKCWABWMPWCRU-MLPAPPSSSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine
CID 91236046
2,4-dichloro-1-(2,2-difluoroethenyl)benzene
CID 101499085
2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241595
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
methyl (Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 67271124
methyl (E)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 58952572
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide (CID 89145055) is N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide is CC(C)C(C)(NC=O)/C(O)=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide?
The InChIKey is BUKCWABWMPWCRU-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-9(2)14(3,17-8-18)13(19)6-10-4-5-11(15)7-12(10)16/h4-9,19H,1-3H3,(H,17,18)/b13-6-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide?
N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide has a molecular weight of 302.20 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide is sourced from PubChem (CID 89145055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).