N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide

C12H14ClNO2 — CID 89250743

IUPACN-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-9(6-7-15)12(16)14-8-10-4-2-3-5-11(10)13/h2-5,15H,1,6-8H2,(H,14,16)
InChIKeyDWXMEDWJIKXKJS-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.89
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide

N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide (PubChem CID 89250743) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
PubChem CID89250743
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-9(6-7-15)12(16)14-8-10-4-2-3-5-11(10)13/h2-5,15H,1,6-8H2,(H,14,16)
InChIKeyDWXMEDWJIKXKJS-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide 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

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
N-[(2-chlorophenyl)methyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108506085
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide (CID 89250743) is N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide is C=C(CCO)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide?
The InChIKey is DWXMEDWJIKXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-9(6-7-15)12(16)14-8-10-4-2-3-5-11(10)13/h2-5,15H,1,6-8H2,(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide?
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide has a molecular weight of 239.70 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide is sourced from PubChem (CID 89250743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).