N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide

C12H16ClNO3 — CID 115178540

IUPACN-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCOc1cc(C)c(Cl)cc1NC(=O)C(C)(C)O
InChIInChI=1S/C12H16ClNO3/c1-7-5-10(17-4)9(6-8(7)13)14-11(15)12(2,3)16/h5-6,16H,1-4H3,(H,14,15)
InChIKeyQWDIEEBFERUQIP-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.37
Rot. Bonds3

About N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide

N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 115178540) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID115178540
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCOc1cc(C)c(Cl)cc1NC(=O)C(C)(C)O
InChIInChI=1S/C12H16ClNO3/c1-7-5-10(17-4)9(6-8(7)13)14-11(15)12(2,3)16/h5-6,16H,1-4H3,(H,14,15)
InChIKeyQWDIEEBFERUQIP-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967518
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783
3-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967101
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
N-(5-chloro-2-methoxy-4-methylphenyl)-3-cyanopropanamide
CID 115173505
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide (CID 115178540) is N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide is COc1cc(C)c(Cl)cc1NC(=O)C(C)(C)O.
What is the InChIKey of N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is QWDIEEBFERUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-7-5-10(17-4)9(6-8(7)13)14-11(15)12(2,3)16/h5-6,16H,1-4H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide?
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 115178540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).