2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide

C17H21ClN2O2 — CID 26834501

IUPAC2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N(C)C)o1
InChIInChI=1S/C17H21ClN2O2/c1-12-4-9-16(22-12)15(20(2)3)11-19-17(21)10-13-5-7-14(18)8-6-13/h4-9,15H,10-11H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyKQGIQKYJWYGCCV-HNNXBMFYSA-N
MW320.82 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 26834501) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID26834501
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N(C)C)o1
InChIInChI=1S/C17H21ClN2O2/c1-12-4-9-16(22-12)15(20(2)3)11-19-17(21)10-13-5-7-14(18)8-6-13/h4-9,15H,10-11H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyKQGIQKYJWYGCCV-HNNXBMFYSA-N
XLogP3.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
5-(4-chlorophenyl)-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26834979
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052666
6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052662
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
CID 110281459
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide (CID 26834501) is 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N(C)C)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is KQGIQKYJWYGCCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12-4-9-16(22-12)15(20(2)3)11-19-17(21)10-13-5-7-14(18)8-6-13/h4-9,15H,10-11H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 320.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 26834501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).