2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide

C23H25ClN2O3 — CID 91450426

IUPAC2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
SMILESCC(C(N)=O)N(CCc1cccc(OCc2ccccc2Cl)c1)Cc1ccco1
InChIInChI=1S/C23H25ClN2O3/c1-17(23(25)27)26(15-21-9-5-13-28-21)12-11-18-6-4-8-20(14-18)29-16-19-7-2-3-10-22(19)24/h2-10,13-14,17H,11-12,15-16H2,1H3,(H2,25,27)
InChIKeyYGIIHVAAAVROGU-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.43
Rot. Bonds10

About 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide

2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide (PubChem CID 91450426) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
PubChem CID91450426
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
SMILESCC(C(N)=O)N(CCc1cccc(OCc2ccccc2Cl)c1)Cc1ccco1
InChIInChI=1S/C23H25ClN2O3/c1-17(23(25)27)26(15-21-9-5-13-28-21)12-11-18-6-4-8-20(14-18)29-16-19-7-2-3-10-22(19)24/h2-10,13-14,17H,11-12,15-16H2,1H3,(H2,25,27)
InChIKeyYGIIHVAAAVROGU-UHFFFAOYSA-N
XLogP4.43
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
CID 91328705
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
2-[furan-2-ylmethyl-[2-(3-phenylmethoxyphenyl)ethyl]amino]-N-methylacetamide
CID 59596821
N-(1-aminopropan-2-yl)-2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylacetamide;hydrochloride
CID 119583694
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 66591030
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
The IUPAC name of 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide (CID 91450426) is 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
The canonical SMILES for 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide is CC(C(N)=O)N(CCc1cccc(OCc2ccccc2Cl)c1)Cc1ccco1.
What is the InChIKey of 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
The InChIKey is YGIIHVAAAVROGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-17(23(25)27)26(15-21-9-5-13-28-21)12-11-18-6-4-8-20(14-18)29-16-19-7-2-3-10-22(19)24/h2-10,13-14,17H,11-12,15-16H2,1H3,(H2,25,27).
What are the key properties of 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide has a molecular weight of 412.92 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-chlorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 91450426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).