2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide

C14H20ClFN2O — CID 115762137

IUPAC2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2O/c1-9(2)6-13(14(19)17-3)18-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,18H,6,8H2,1-3H3,(H,17,19)
InChIKeyWOCOFSRWGCNAAC-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.73
Rot. Bonds6

About 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide

2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide (PubChem CID 115762137) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
PubChem CID115762137
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cc(Cl)ccc1F
InChIInChI=1S/C14H20ClFN2O/c1-9(2)6-13(14(19)17-3)18-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,18H,6,8H2,1-3H3,(H,17,19)
InChIKeyWOCOFSRWGCNAAC-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

(2S)-2-[(4-chloro-2-fluorophenyl)methylamino]-4-methylpentanoic acid
CID 120510824
(2R)-2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoic acid
CID 120511304
2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
CID 55245761
methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate
CID 65315876
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 120510811
2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750741
2-[(3,4-dihydroxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750577
4-amino-N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutanamide
CID 115156054
methyl 2-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentanoate
CID 103275372
2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 103827953

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide (CID 115762137) is 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is WOCOFSRWGCNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-9(2)6-13(14(19)17-3)18-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,18H,6,8H2,1-3H3,(H,17,19).
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide?
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide 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-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 115762137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).