N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide

C14H20F2N2O — CID 115579695

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
SMILESCC(NCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H20F2N2O/c1-9(13(19)18-14(2,3)4)17-8-10-5-11(15)7-12(16)6-10/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyQGLWTISLEOQEGB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.36
Rot. Bonds4

About N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide

N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide (PubChem CID 115579695) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
PubChem CID115579695
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
SMILESCC(NCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H20F2N2O/c1-9(13(19)18-14(2,3)4)17-8-10-5-11(15)7-12(16)6-10/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyQGLWTISLEOQEGB-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43087569
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N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
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N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
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N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
CID 20790193
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
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N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide (CID 115579695) is N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide is CC(NCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide?
The InChIKey is QGLWTISLEOQEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(13(19)18-14(2,3)4)17-8-10-5-11(15)7-12(16)6-10/h5-7,9,17H,8H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide?
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide has a molecular weight of 270.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide is sourced from PubChem (CID 115579695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).