2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide

C11H14ClFN2O — CID 43708823

IUPAC2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFN2O/c1-6(2)10(14)11(16)15-7-3-4-8(12)9(13)5-7/h3-6,10H,14H2,1-2H3,(H,15,16)
InChIKeyNGAHJAAWVNUMDA-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide

2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide (PubChem CID 43708823) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
PubChem CID43708823
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClFN2O/c1-6(2)10(14)11(16)15-7-3-4-8(12)9(13)5-7/h3-6,10H,14H2,1-2H3,(H,15,16)
InChIKeyNGAHJAAWVNUMDA-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280061
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
CID 119286908
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide (CID 43708823) is 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide?
The InChIKey is NGAHJAAWVNUMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-6(2)10(14)11(16)15-7-3-4-8(12)9(13)5-7/h3-6,10H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide?
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide has a molecular weight of 244.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 43708823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).