N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide

C17H18BrFN2O — CID 109020973

IUPACN-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
SMILESCc1cc(NC(=O)CCNCc2ccccc2F)ccc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12-10-14(6-7-15(12)18)21-17(22)8-9-20-11-13-4-2-3-5-16(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyJVYCDARRXWORSO-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.02
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide

N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide (PubChem CID 109020973) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
PubChem CID109020973
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
SMILESCc1cc(NC(=O)CCNCc2ccccc2F)ccc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12-10-14(6-7-15(12)18)21-17(22)8-9-20-11-13-4-2-3-5-16(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyJVYCDARRXWORSO-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]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-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024054
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide (CID 109020973) is N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide is Cc1cc(NC(=O)CCNCc2ccccc2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
The InChIKey is JVYCDARRXWORSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-12-10-14(6-7-15(12)18)21-17(22)8-9-20-11-13-4-2-3-5-16(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide has a molecular weight of 365.25 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109020973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).