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

C11H14ClFN2O — CID 80542109

IUPAC4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(4-5-14)11(16)15-10-3-2-8(13)6-9(10)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeySOYLSJIRSDXXPI-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.40
Rot. Bonds4

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

4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide (PubChem CID 80542109) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
PubChem CID80542109
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(4-5-14)11(16)15-10-3-2-8(13)6-9(10)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeySOYLSJIRSDXXPI-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide (CID 80542109) is 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide is CC(CCN)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide?
The InChIKey is SOYLSJIRSDXXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(4-5-14)11(16)15-10-3-2-8(13)6-9(10)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide?
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide has a molecular weight of 244.70 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 80542109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).