4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide

C26H25F3N4O3 — CID 11713027

IUPAC4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35)
InChIKeyOBHFOTLCPRPWNS-UHFFFAOYSA-N
MW498.51 g/mol
LogP5.37
Rot. Bonds8

About 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 11713027) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID11713027
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35)
InChIKeyOBHFOTLCPRPWNS-UHFFFAOYSA-N
XLogP5.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.51
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide 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

1-(2-(4-Fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
CID 11648912
3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-methyl-benzamide
CID 10310634
1-(2-(3,4-Dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-phenylurea
CID 11236807
1-(4-Bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)urea
CID 11563017
1-(2-(3,4-Dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(4-phenoxyphenyl)urea
CID 11563153
1-(5-((2-(Pyrrolidin-1-yl)ethyl)carbamoyl)-2-(m-tolyloxy)phenyl)-3-(3-fluorophenyl)urea
CID 11583747
4-(3,4-dimethylphenoxy)-3-(3-phenylpropanamido)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
CID 11583925
4-(naphthalen-2-yloxy)-3-(3-phenylpropanamido)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
CID 11591542
1-(2-(3,4-Dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
CID 11598355
3-cinnamamido-4-(3,4-dimethylphenoxy)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
CID 11620005
1-(2-(3-Fluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
CID 11627122
1-(2-Chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)urea
CID 11641948

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 11713027) is 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is OBHFOTLCPRPWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35).
What are the key properties of 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 498.51 g/mol, XLogP of 5.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-3-[(3-fluorophenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 11713027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).