N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide

C16H16F2N2O — CID 28661893

IUPACN-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-16(21)20-14-5-3-4-13(9-14)19-10-11-6-7-12(17)8-15(11)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyYSAJUIZYURDYPT-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide

N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide (PubChem CID 28661893) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
PubChem CID28661893
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-16(21)20-14-5-3-4-13(9-14)19-10-11-6-7-12(17)8-15(11)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyYSAJUIZYURDYPT-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
CID 49464511
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
[3-[(2-chloro-4-fluorophenyl)methylamino]phenyl]urea
CID 103818257
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
N-[3-(octylamino)phenyl]propanamide
CID 43130255
N-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]phenyl]propanamide
CID 115951328
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide (CID 28661893) is N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccc(F)cc2F)c1.
What is the InChIKey of N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide?
The InChIKey is YSAJUIZYURDYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-16(21)20-14-5-3-4-13(9-14)19-10-11-6-7-12(17)8-15(11)18/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide?
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide has a molecular weight of 290.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 28661893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).