N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide

C13H19ClN2O2 — CID 103028921

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-13(2,18-5)12(17)15-10-8-6-7-9(14)11(10)16(3)4/h6-8H,1-5H3,(H,15,17)
InChIKeyVPGWMFXQIWDBHZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.77
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide

N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103028921) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103028921
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-13(2,18-5)12(17)15-10-8-6-7-9(14)11(10)16(3)4/h6-8H,1-5H3,(H,15,17)
InChIKeyVPGWMFXQIWDBHZ-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
CID 103479902
N-[2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028880
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
3-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076471
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
CID 103028879
(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 46485503

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide (CID 103028921) is N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is VPGWMFXQIWDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,18-5)12(17)15-10-8-6-7-9(14)11(10)16(3)4/h6-8H,1-5H3,(H,15,17).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide?
N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).