N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide

C19H18BrF2N3O2 — CID 165163846

IUPACN-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccc(Br)cc1)C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C19H18BrF2N3O2/c1-11(23)16(17(26)24-14-8-6-13(20)7-9-14)18(27)25-15-5-3-4-12(10-15)19(2,21)22/h3-10,16,23H,1-2H3,(H,24,26)(H,25,27)/b23-11+
InChIKeySTKBMJSVIZQASY-FOKLQQMPSA-N
MW438.27 g/mol
LogP4.79
Rot. Bonds6

About N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide

N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide (PubChem CID 165163846) has the molecular formula C19H18BrF2N3O2 and a molecular weight of 438.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide
PubChem CID165163846
Molecular FormulaC19H18BrF2N3O2
Molecular Weight438.27 g/mol
Exact Mass437.06
IUPAC NameN-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccc(Br)cc1)C(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C19H18BrF2N3O2/c1-11(23)16(17(26)24-14-8-6-13(20)7-9-14)18(27)25-15-5-3-4-12(10-15)19(2,21)22/h3-10,16,23H,1-2H3,(H,24,26)(H,25,27)/b23-11+
InChIKeySTKBMJSVIZQASY-FOKLQQMPSA-N
XLogP4.79
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide 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-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
CID 155721712
N-[3-(1,1-difluoroethyl)phenyl]-N'-[4-(difluoromethoxy)phenyl]-2-ethanimidoyl-2-methylpropanediamide
CID 155311346
2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
CID 176781456
N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
3-(1,1-difluoroethyl)-N-(3-iminobutan-2-yl)benzamide
CID 155303825
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide (CID 165163846) is N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide is [H]/N=C(\C)C(C(=O)Nc1ccc(Br)cc1)C(=O)Nc1cccc(C(C)(F)F)c1.
What is the InChIKey of N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide?
The InChIKey is STKBMJSVIZQASY-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H18BrF2N3O2/c1-11(23)16(17(26)24-14-8-6-13(20)7-9-14)18(27)25-15-5-3-4-12(10-15)19(2,21)22/h3-10,16,23H,1-2H3,(H,24,26)(H,25,27)/b23-11+.
What are the key properties of N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide?
N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide has a molecular weight of 438.27 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide is sourced from PubChem (CID 165163846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).