N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide

C19H18F2N2O — CID 110615037

IUPACN-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
SMILESCC(C)(C#N)NC(=O)C(Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O/c1-19(2,12-22)23-18(24)17(14-5-9-16(21)10-6-14)11-13-3-7-15(20)8-4-13/h3-10,17H,11H2,1-2H3,(H,23,24)
InChIKeyDQEJWASOTHWOOI-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.71
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide

N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide (PubChem CID 110615037) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
PubChem CID110615037
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC NameN-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
SMILESCC(C)(C#N)NC(=O)C(Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O/c1-19(2,12-22)23-18(24)17(14-5-9-16(21)10-6-14)11-13-3-7-15(20)8-4-13/h3-10,17H,11H2,1-2H3,(H,23,24)
InChIKeyDQEJWASOTHWOOI-UHFFFAOYSA-N
XLogP3.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)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-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide
CID 110615036
2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
CID 110615043
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 110619409
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
CID 143696076
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide (CID 110615037) is N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide is CC(C)(C#N)NC(=O)C(Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide?
The InChIKey is DQEJWASOTHWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c1-19(2,12-22)23-18(24)17(14-5-9-16(21)10-6-14)11-13-3-7-15(20)8-4-13/h3-10,17H,11H2,1-2H3,(H,23,24).
What are the key properties of N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide?
N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide has a molecular weight of 328.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide is sourced from PubChem (CID 110615037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).