N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide

C23H23F2NO2 — CID 1384951

IUPACN-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1F
InChIInChI=1S/C23H23F2NO2/c1-2-23(27)26(16-18-6-3-4-7-21(18)25)14-13-20(22-8-5-15-28-22)17-9-11-19(24)12-10-17/h3-12,15,20H,2,13-14,16H2,1H3/t20-/m0/s1
InChIKeyKAUGENHSDSQEFI-FQEVSTJZSA-N
MW383.44 g/mol
LogP5.52
Rot. Bonds8

About N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide

N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 1384951) has the molecular formula C23H23F2NO2 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID1384951
Molecular FormulaC23H23F2NO2
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1F
InChIInChI=1S/C23H23F2NO2/c1-2-23(27)26(16-18-6-3-4-7-21(18)25)14-13-20(22-8-5-15-28-22)17-9-11-19(24)12-10-17/h3-12,15,20H,2,13-14,16H2,1H3/t20-/m0/s1
InChIKeyKAUGENHSDSQEFI-FQEVSTJZSA-N
XLogP5.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4553376
N-benzyl-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2938663
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
CID 1426584
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide (CID 1384951) is N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide is CCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1F.
What is the InChIKey of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is KAUGENHSDSQEFI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23F2NO2/c1-2-23(27)26(16-18-6-3-4-7-21(18)25)14-13-20(22-8-5-15-28-22)17-9-11-19(24)12-10-17/h3-12,15,20H,2,13-14,16H2,1H3/t20-/m0/s1.
What are the key properties of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide?
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 383.44 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 1384951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).