2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide

C11H14ClFN2O — CID 102615565

IUPAC2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(11(16)14-2)15-6-8-5-9(13)3-4-10(8)12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyZEWQRMKWPQHXGF-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.70
Rot. Bonds4

About 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide

2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide (PubChem CID 102615565) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
PubChem CID102615565
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(11(16)14-2)15-6-8-5-9(13)3-4-10(8)12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyZEWQRMKWPQHXGF-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 102615921
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
2-[(3-chloro-2-fluorophenyl)methylamino]-N-methylpropanamide
CID 115695872
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-[(2-chloro-5-fluorophenyl)methylamino]-2-cyclopropylacetic acid
CID 102616831
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide (CID 102615565) is 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide?
The InChIKey is ZEWQRMKWPQHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(11(16)14-2)15-6-8-5-9(13)3-4-10(8)12/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide?
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide has a molecular weight of 244.70 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 102615565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).