N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

C21H21ClN2O2 — CID 8756176

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c22-18-10-8-16(9-11-18)12-13-23-20(25)15-24-21(19-7-4-14-26-19)17-5-2-1-3-6-17/h1-11,14,21,24H,12-13,15H2,(H,23,25)/t21-/m0/s1
InChIKeyYHMWJHVWCJXJDD-NRFANRHFSA-N
MW368.86 g/mol
LogP3.97
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8756176) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8756176
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c22-18-10-8-16(9-11-18)12-13-23-20(25)15-24-21(19-7-4-14-26-19)17-5-2-1-3-6-17/h1-11,14,21,24H,12-13,15H2,(H,23,25)/t21-/m0/s1
InChIKeyYHMWJHVWCJXJDD-NRFANRHFSA-N
XLogP3.97
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756406
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755962
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8756584
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756602

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8756176) is N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is O=C(CN[C@@H](c1ccccc1)c1ccco1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is YHMWJHVWCJXJDD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-18-10-8-16(9-11-18)12-13-23-20(25)15-24-21(19-7-4-14-26-19)17-5-2-1-3-6-17/h1-11,14,21,24H,12-13,15H2,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 368.86 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8756176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).