N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide

C15H13Cl2FN2O3 — CID 9232204

IUPACN-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccco1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O3/c1-8(9-5-12(18)11(17)6-10(9)16)20-14(21)7-19-15(22)13-3-2-4-23-13/h2-6,8H,7H2,1H3,(H,19,22)(H,20,21)/t8-/m1/s1
InChIKeyLGUIFXYSFFANFW-MRVPVSSYSA-N
MW359.18 g/mol
LogP3.33
Rot. Bonds5

About N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9232204) has the molecular formula C15H13Cl2FN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9232204
Molecular FormulaC15H13Cl2FN2O3
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC NameN-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccco1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O3/c1-8(9-5-12(18)11(17)6-10(9)16)20-14(21)7-19-15(22)13-3-2-4-23-13/h2-6,8H,7H2,1H3,(H,19,22)(H,20,21)/t8-/m1/s1
InChIKeyLGUIFXYSFFANFW-MRVPVSSYSA-N
XLogP3.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide 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-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N-[1-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112764329
N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9225176
3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1,1-bis(furan-2-ylmethyl)urea
CID 112831926
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 8795213
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]propanamide
CID 56513804
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162418

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9232204) is N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide is C[C@@H](NC(=O)CNC(=O)c1ccco1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is LGUIFXYSFFANFW-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3/c1-8(9-5-12(18)11(17)6-10(9)16)20-14(21)7-19-15(22)13-3-2-4-23-13/h2-6,8H,7H2,1H3,(H,19,22)(H,20,21)/t8-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 359.18 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9232204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).