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

C20H17ClFNO2 — CID 110296194

IUPACN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESO=C(NCc1ccc(Cl)cc1)C(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C20H17ClFNO2/c21-16-7-3-14(4-8-16)13-23-20(24)19(12-18-2-1-11-25-18)15-5-9-17(22)10-6-15/h1-11,19H,12-13H2,(H,23,24)
InChIKeyUPBKTOZWSHFNMB-UHFFFAOYSA-N
MW357.81 g/mol
LogP4.71
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 110296194) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID110296194
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESO=C(NCc1ccc(Cl)cc1)C(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C20H17ClFNO2/c21-16-7-3-14(4-8-16)13-23-20(24)19(12-18-2-1-11-25-18)15-5-9-17(22)10-6-15/h1-11,19H,12-13H2,(H,23,24)
InChIKeyUPBKTOZWSHFNMB-UHFFFAOYSA-N
XLogP4.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312152
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110615557
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238309
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
CID 110296620
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110616262
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide (CID 110296194) is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide is O=C(NCc1ccc(Cl)cc1)C(Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is UPBKTOZWSHFNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c21-16-7-3-14(4-8-16)13-23-20(24)19(12-18-2-1-11-25-18)15-5-9-17(22)10-6-15/h1-11,19H,12-13H2,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 357.81 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110296194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).