N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide

C21H20ClNO3 — CID 35181958

IUPACN-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClNO3/c1-2-13-25-19-11-5-16(6-12-19)21(24)23(15-20-4-3-14-26-20)18-9-7-17(22)8-10-18/h3-12,14H,2,13,15H2,1H3
InChIKeyFPQXAIWWMREIIN-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.57
Rot. Bonds7

About N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide

N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide (PubChem CID 35181958) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide
PubChem CID35181958
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC NameN-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClNO3/c1-2-13-25-19-11-5-16(6-12-19)21(24)23(15-20-4-3-14-26-20)18-9-7-17(22)8-10-18/h3-12,14H,2,13,15H2,1H3
InChIKeyFPQXAIWWMREIIN-UHFFFAOYSA-N
XLogP5.57
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
4-chloro-N-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)benzamide
CID 35345535
4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 19120118
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
2-amino-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39364356
N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-4-propoxybenzamide
CID 19243761
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-phenylpropanamide
CID 18100568
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022
N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
CID 35182283
N-(furan-2-ylmethyl)-3,5-dimethoxy-N-phenylbenzamide
CID 18100555
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide (CID 35181958) is N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide?
The InChIKey is FPQXAIWWMREIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-2-13-25-19-11-5-16(6-12-19)21(24)23(15-20-4-3-14-26-20)18-9-7-17(22)8-10-18/h3-12,14H,2,13,15H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide?
N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide has a molecular weight of 369.85 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-propoxybenzamide is sourced from PubChem (CID 35181958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).