N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide

C12H17ClN2O4 — CID 69174441

IUPACN-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide
SMILESCOc1cc(OC[C@H](O)CN)c(NC(C)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4/c1-7(16)15-10-3-9(13)11(18-2)4-12(10)19-6-8(17)5-14/h3-4,8,17H,5-6,14H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyVEKSMURUNCLLGS-MRVPVSSYSA-N
MW288.73 g/mol
LogP1.01
Rot. Bonds6

About N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide

N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide (PubChem CID 69174441) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide
PubChem CID69174441
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC NameN-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide
SMILESCOc1cc(OC[C@H](O)CN)c(NC(C)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4/c1-7(16)15-10-3-9(13)11(18-2)4-12(10)19-6-8(17)5-14/h3-4,8,17H,5-6,14H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyVEKSMURUNCLLGS-MRVPVSSYSA-N
XLogP1.01
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
CID 59761773
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
2-acetamido-N-(5-chloro-2,4-dimethoxyphenyl)-3-sulfanylpropanamide
CID 107768964
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methoxy-5-methylphenyl]acetamide
CID 15954879

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide (CID 69174441) is N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide is COc1cc(OC[C@H](O)CN)c(NC(C)=O)cc1Cl.
What is the InChIKey of N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide?
The InChIKey is VEKSMURUNCLLGS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17ClN2O4/c1-7(16)15-10-3-9(13)11(18-2)4-12(10)19-6-8(17)5-14/h3-4,8,17H,5-6,14H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide?
N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide has a molecular weight of 288.73 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide is sourced from PubChem (CID 69174441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).