N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide

C21H21ClN2O2 — CID 8755962

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESC[C@H](NC(=O)CN[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-15(16-9-11-18(22)12-10-16)24-20(25)14-23-21(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,15,21,23H,14H2,1H3,(H,24,25)/t15-,21+/m0/s1
InChIKeySDKXAXJANBTFCQ-YCRPNKLZSA-N
MW368.86 g/mol
LogP4.49
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8755962) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8755962
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESC[C@H](NC(=O)CN[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-15(16-9-11-18(22)12-10-16)24-20(25)14-23-21(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,15,21,23H,14H2,1H3,(H,24,25)/t15-,21+/m0/s1
InChIKeySDKXAXJANBTFCQ-YCRPNKLZSA-N
XLogP4.49
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8755940
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8756240
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755922
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 87029637

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8755962) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide is C[C@H](NC(=O)CN[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is SDKXAXJANBTFCQ-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-15(16-9-11-18(22)12-10-16)24-20(25)14-23-21(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,15,21,23H,14H2,1H3,(H,24,25)/t15-,21+/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 368.86 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8755962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).