N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide

C20H24ClNO4 — CID 11728565

IUPACN-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cccc([C@H](O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)c1OC
InChIInChI=1S/C20H24ClNO4/c1-20(2,3)19(24)22-15-10-9-12(21)11-14(15)17(23)13-7-6-8-16(25-4)18(13)26-5/h6-11,17,23H,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyXPYJAZNDFOMWFW-KRWDZBQOSA-N
MW377.87 g/mol
LogP4.42
Rot. Bonds5

About N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide

N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 11728565) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID11728565
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1cccc([C@H](O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)c1OC
InChIInChI=1S/C20H24ClNO4/c1-20(2,3)19(24)22-15-10-9-12(21)11-14(15)17(23)13-7-6-8-16(25-4)18(13)26-5/h6-11,17,23H,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyXPYJAZNDFOMWFW-KRWDZBQOSA-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

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Related Compounds

N-[5-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 57177618
[4-chloro-2-[(3-chloro-2-methoxyphenyl)-hydroxymethyl]phenyl]carbamic acid
CID 68918668
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733665
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733664
N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968437
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
methyl 3-[1-[4-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-5-(2-methylprop-1-enyl)pyrrol-2-yl]prop-2-enoate
CID 68918930
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
methyl 3-[1-[4-chloro-2-[(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-5-(2-methylpropyl)pyrrol-2-yl]prop-2-enoate
CID 68919865
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide (CID 11728565) is N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide is COc1cccc([C@H](O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)c1OC.
What is the InChIKey of N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is XPYJAZNDFOMWFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-20(2,3)19(24)22-15-10-9-12(21)11-14(15)17(23)13-7-6-8-16(25-4)18(13)26-5/h6-11,17,23H,1-5H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide?
N-[4-chloro-2-[(R)-(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-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11728565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).