N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide

C16H16F2N2O3 — CID 25479336

IUPACN-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O3/c1-10(11-4-5-12(17)13(18)9-11)20-15(21)6-7-19-16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyKTZPBKBXWZIIHC-JTQLQIEISA-N
MW322.31 g/mol
LogP2.56
Rot. Bonds6

About N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 25479336) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID25479336
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O3/c1-10(11-4-5-12(17)13(18)9-11)20-15(21)6-7-19-16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyKTZPBKBXWZIIHC-JTQLQIEISA-N
XLogP2.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]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-[3-oxo-3-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propyl]furan-2-carboxamide
CID 47048455
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909262
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 25479336) is N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide is C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is KTZPBKBXWZIIHC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-10(11-4-5-12(17)13(18)9-11)20-15(21)6-7-19-16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 25479336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).