N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide

C19H18F3N3O2 — CID 108956501

IUPACN-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H18F3N3O2/c20-14-7-8-15(19(22)18(14)21)24-17(27)11-16(26)23-12-3-5-13(6-4-12)25-9-1-2-10-25/h3-8H,1-2,9-11H2,(H,23,26)(H,24,27)
InChIKeyFPBGETXNBBUPSI-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.67
Rot. Bonds5

About N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide

N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108956501) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108956501
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H18F3N3O2/c20-14-7-8-15(19(22)18(14)21)24-17(27)11-16(26)23-12-3-5-13(6-4-12)25-9-1-2-10-25/h3-8H,1-2,9-11H2,(H,23,26)(H,24,27)
InChIKeyFPBGETXNBBUPSI-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108527759
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110428777
N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956222
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956040
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108992547
methyl 2-[[3-oxo-3-(4-piperidin-1-ylanilino)propanoyl]amino]benzoate
CID 108956300
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide (CID 108956501) is N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(F)c(F)c1F)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is FPBGETXNBBUPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-14-7-8-15(19(22)18(14)21)24-17(27)11-16(26)23-12-3-5-13(6-4-12)25-9-1-2-10-25/h3-8H,1-2,9-11H2,(H,23,26)(H,24,27).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 377.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108956501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).