N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide

C20H18FN3O4 — CID 87010608

IUPACN-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide
SMILESO=C(NCC(O)c1ccco1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C20H18FN3O4/c21-14-5-2-7-16(11-14)23-19(26)13-4-1-6-15(10-13)24-20(27)22-12-17(25)18-8-3-9-28-18/h1-11,17,25H,12H2,(H,23,26)(H2,22,24,27)
InChIKeyYCCMSLSBYZXQKH-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.53
Rot. Bonds6

About N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide

N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide (PubChem CID 87010608) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide
PubChem CID87010608
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide
SMILESO=C(NCC(O)c1ccco1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C20H18FN3O4/c21-14-5-2-7-16(11-14)23-19(26)13-4-1-6-15(10-13)24-20(27)22-12-17(25)18-8-3-9-28-18/h1-11,17,25H,12H2,(H,23,26)(H2,22,24,27)
InChIKeyYCCMSLSBYZXQKH-UHFFFAOYSA-N
XLogP3.53
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]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-(Furan-2-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 71782647
3-[5-[2-(4-fluoroanilino)-1-hydroxyethyl]furan-2-yl]-N-methylbenzamide
CID 176432985
4-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782554
N1-(2-(furan-2-yl)-2-hydroxypropyl)-N2-(2-methoxy-5-methylphenyl)oxalamide
CID 71782597
1-(2,6-Difluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]urea
CID 49670535
1-(4-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49676691
1-(2-Hydroxy-2-(5-methylfuran-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49676711
1-(2-Cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-3-(2,6-difluorophenyl)urea
CID 71781554
1-(2-Cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71781559
1-(4-Fluorophenyl)-N-[3-(furan-2-YL)-3-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 71787711
1-(3-(Furan-2-yl)-3-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 71787778
2-[(S)-1-hydroxy-1-methyl-2-(N-2,4-difluorophenylcarbamoylcarbonylamino)ethyl]furan
CID 95983700

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide (CID 87010608) is N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide is O=C(NCC(O)c1ccco1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide?
The InChIKey is YCCMSLSBYZXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-14-5-2-7-16(11-14)23-19(26)13-4-1-6-15(10-13)24-20(27)22-12-17(25)18-8-3-9-28-18/h1-11,17,25H,12H2,(H,23,26)(H2,22,24,27).
What are the key properties of N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide?
N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide has a molecular weight of 383.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide is sourced from PubChem (CID 87010608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).