(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide

C21H21ClN2O2 — CID 8918904

IUPAC(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](N[C@H](C)c2ccco2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-14-10-11-17(13-18(14)22)24-21(25)20(16-7-4-3-5-8-16)23-15(2)19-9-6-12-26-19/h3-13,15,20,23H,1-2H3,(H,24,25)/t15-,20-/m1/s1
InChIKeyGPQDOGFQQYWDGX-FOIQADDNSA-N
MW368.86 g/mol
LogP5.27
Rot. Bonds6

About (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide

(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide (PubChem CID 8918904) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide
PubChem CID8918904
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](N[C@H](C)c2ccco2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-14-10-11-17(13-18(14)22)24-21(25)20(16-7-4-3-5-8-16)23-15(2)19-9-6-12-26-19/h3-13,15,20,23H,1-2H3,(H,24,25)/t15-,20-/m1/s1
InChIKeyGPQDOGFQQYWDGX-FOIQADDNSA-N
XLogP5.27
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 8755134
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631518
(2S)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-(prop-2-ynylamino)acetamide
CID 9357599
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2565303
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide (CID 8918904) is (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide is Cc1ccc(NC(=O)[C@H](N[C@H](C)c2ccco2)c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide?
The InChIKey is GPQDOGFQQYWDGX-FOIQADDNSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-10-11-17(13-18(14)22)24-21(25)20(16-7-4-3-5-8-16)23-15(2)19-9-6-12-26-19/h3-13,15,20,23H,1-2H3,(H,24,25)/t15-,20-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide?
(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide has a molecular weight of 368.86 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8918904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).