2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide

C12H15ClF2N2O2 — CID 79806067

IUPAC2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O2/c1-3-12(2,16)10(18)17-7-4-5-9(8(13)6-7)19-11(14)15/h4-6,11H,3,16H2,1-2H3,(H,17,18)
InChIKeyDQMLDAWFKQSUGF-UHFFFAOYSA-N
MW292.71 g/mol
LogP3.01
Rot. Bonds5

About 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide

2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide (PubChem CID 79806067) has the molecular formula C12H15ClF2N2O2 and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
PubChem CID79806067
Molecular FormulaC12H15ClF2N2O2
Molecular Weight292.71 g/mol
Exact Mass292.08
IUPAC Name2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O2/c1-3-12(2,16)10(18)17-7-4-5-9(8(13)6-7)19-11(14)15/h4-6,11H,3,16H2,1-2H3,(H,17,18)
InChIKeyDQMLDAWFKQSUGF-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
benzyl (2R)-2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoylamino]-2-methylbutanoate
CID 139384600
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790548
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide (CID 79806067) is 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide?
The InChIKey is DQMLDAWFKQSUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O2/c1-3-12(2,16)10(18)17-7-4-5-9(8(13)6-7)19-11(14)15/h4-6,11H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide?
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide has a molecular weight of 292.71 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide is sourced from PubChem (CID 79806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).