2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide

C14H20ClFN2O — CID 102615921

IUPAC2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cc(F)ccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-9(2)7-18-14(19)10(3)17-8-11-6-12(16)4-5-13(11)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyBJGPTZJRMJIXON-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.73
Rot. Bonds6

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

2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 102615921) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID102615921
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cc(F)ccc1Cl
InChIInChI=1S/C14H20ClFN2O/c1-9(2)7-18-14(19)10(3)17-8-11-6-12(16)4-5-13(11)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyBJGPTZJRMJIXON-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
methyl N-[2-[(2-chloro-4-fluorophenyl)methylamino]propyl]carbamate
CID 167981878
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
2-[(2-chloro-5-fluorophenyl)methylamino]-2-cyclopropylacetic acid
CID 102616831
2-[(2-bromo-5-fluorophenyl)methylamino]-N-butylpropanamide
CID 54902468
2-[(2-cyano-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 107904074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide (CID 102615921) is 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is BJGPTZJRMJIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9(2)7-18-14(19)10(3)17-8-11-6-12(16)4-5-13(11)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 286.78 g/mol, XLogP of 2.73, 6 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 102615921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).