3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride

C12H16Cl2F2N2O2 — CID 119676740

IUPAC3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.Cl
InChIInChI=1S/C12H15ClF2N2O2.ClH/c1-12(2,6-16)10(18)17-7-3-4-9(8(13)5-7)19-11(14)15;/h3-5,11H,6,16H2,1-2H3,(H,17,18);1H
InChIKeyRJGICLCVOAUZEW-UHFFFAOYSA-N
MW329.17 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119676740) has the molecular formula C12H16Cl2F2N2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119676740
Molecular FormulaC12H16Cl2F2N2O2
Molecular Weight329.17 g/mol
Exact Mass328.06
IUPAC Name3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.Cl
InChIInChI=1S/C12H15ClF2N2O2.ClH/c1-12(2,6-16)10(18)17-7-3-4-9(8(13)5-7)19-11(14)15;/h3-5,11H,6,16H2,1-2H3,(H,17,18);1H
InChIKeyRJGICLCVOAUZEW-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790548
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride (CID 119676740) is 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is RJGICLCVOAUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O2.ClH/c1-12(2,6-16)10(18)17-7-3-4-9(8(13)5-7)19-11(14)15;/h3-5,11H,6,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 329.17 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119676740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).