N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide

C20H24ClNO4 — CID 57177618

IUPACN-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(C(O)c2ccc(Cl)cc2NC(=O)C(C)(C)C)c1OC
InChIInChI=1S/C20H24ClNO4/c1-20(2,3)19(24)22-15-11-12(21)9-10-13(15)17(23)14-7-6-8-16(25-4)18(14)26-5/h6-11,17,23H,1-5H3,(H,22,24)
InChIKeyPOLCVKJYXNANSQ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.42
Rot. Bonds5

About N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide

N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 57177618) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID57177618
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(C(O)c2ccc(Cl)cc2NC(=O)C(C)(C)C)c1OC
InChIInChI=1S/C20H24ClNO4/c1-20(2,3)19(24)22-15-11-12(21)9-10-13(15)17(23)14-7-6-8-16(25-4)18(14)26-5/h6-11,17,23H,1-5H3,(H,22,24)
InChIKeyPOLCVKJYXNANSQ-UHFFFAOYSA-N
XLogP4.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide 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-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 11728565
N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968437
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid
CID 68918668
N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968143
methyl 3-[1-[4-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-5-(2-methylprop-1-enyl)pyrrol-2-yl]prop-2-enoate
CID 68918930
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
[(4-chloro-2-fluorophenyl)-(2,3-dimethoxyphenyl)methyl]hydrazine
CID 105328431
N-[2-(2-hydroxypropyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 66977950
methyl 3-[1-[4-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-5-(2-methylpropyl)pyrrol-2-yl]prop-2-enoate
CID 68919865
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide (CID 57177618) is N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide is COc1cccc(C(O)c2ccc(Cl)cc2NC(=O)C(C)(C)C)c1OC.
What is the InChIKey of N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is POLCVKJYXNANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-20(2,3)19(24)22-15-11-12(21)9-10-13(15)17(23)14-7-6-8-16(25-4)18(14)26-5/h6-11,17,23H,1-5H3,(H,22,24).
What are the key properties of N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 377.87 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 57177618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).