N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide

C21H20ClNO3 — CID 22587388

IUPACN-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1
InChIInChI=1S/C21H20ClNO3/c1-14-3-5-15(6-4-14)19-11-8-17(26-19)9-12-21(24)23-18-13-16(22)7-10-20(18)25-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)
InChIKeyKVICMWHPYXSGQN-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.49
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide (PubChem CID 22587388) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
PubChem CID22587388
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1
InChIInChI=1S/C21H20ClNO3/c1-14-3-5-15(6-4-14)19-11-8-17(26-19)9-12-21(24)23-18-13-16(22)7-10-20(18)25-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)
InChIKeyKVICMWHPYXSGQN-UHFFFAOYSA-N
XLogP5.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524655
2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28676244
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 55441437
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700740
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide (CID 22587388) is N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The InChIKey is KVICMWHPYXSGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-14-3-5-15(6-4-14)19-11-8-17(26-19)9-12-21(24)23-18-13-16(22)7-10-20(18)25-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 22587388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).