4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide

C16H19ClN2O2 — CID 22509557

IUPAC4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(Cl)cc2)N(C)C)o1
InChIInChI=1S/C16H19ClN2O2/c1-11-4-9-15(21-11)14(19(2)3)10-18-16(20)12-5-7-13(17)8-6-12/h4-9,14H,10H2,1-3H3,(H,18,20)
InChIKeyNPWZMCOFWUKTOM-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide

4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 22509557) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID22509557
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(Cl)cc2)N(C)C)o1
InChIInChI=1S/C16H19ClN2O2/c1-11-4-9-15(21-11)14(19(2)3)10-18-16(20)12-5-7-13(17)8-6-12/h4-9,14H,10H2,1-3H3,(H,18,20)
InChIKeyNPWZMCOFWUKTOM-UHFFFAOYSA-N
XLogP3.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
CID 26834913
5-(4-chlorophenyl)-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26834979
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
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
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide (CID 22509557) is 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(CNC(=O)c2ccc(Cl)cc2)N(C)C)o1.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is NPWZMCOFWUKTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-4-9-15(21-11)14(19(2)3)10-18-16(20)12-5-7-13(17)8-6-12/h4-9,14H,10H2,1-3H3,(H,18,20).
What are the key properties of 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 306.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 22509557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).