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

C21H20ClNO2 — CID 22587398

IUPACN-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H20ClNO2/c1-14-3-6-16(7-4-14)20-11-9-18(25-20)10-12-21(24)23-17-8-5-15(2)19(22)13-17/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)
InChIKeyDSPNRMWUNABLMN-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.79
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide (PubChem CID 22587398) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
PubChem CID22587398
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H20ClNO2/c1-14-3-6-16(7-4-14)20-11-9-18(25-20)10-12-21(24)23-17-8-5-15(2)19(22)13-17/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)
InChIKeyDSPNRMWUNABLMN-UHFFFAOYSA-N
XLogP5.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide
CID 46271038
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587388
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 24524853
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 22587363
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686863
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352
(E)-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 28686259
(E)-N-[(3-chloro-4-methylphenyl)carbamothioyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 22781802

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide (CID 22587398) is N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide is Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The InChIKey is DSPNRMWUNABLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-14-3-6-16(7-4-14)20-11-9-18(25-20)10-12-21(24)23-17-8-5-15(2)19(22)13-17/h3-9,11,13H,10,12H2,1-2H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide has a molecular weight of 353.85 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 22587398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).