3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide

C17H21ClN2O3 — CID 26834913

IUPAC3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1Cl
InChIInChI=1S/C17H21ClN2O3/c1-11-5-7-16(23-11)14(20(2)3)10-19-17(21)12-6-8-15(22-4)13(18)9-12/h5-9,14H,10H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyNEIUXXKTHQMLKP-CQSZACIVSA-N
MW336.82 g/mol
LogP3.28
Rot. Bonds6

About 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide

3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide (PubChem CID 26834913) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
PubChem CID26834913
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1Cl
InChIInChI=1S/C17H21ClN2O3/c1-11-5-7-16(23-11)14(20(2)3)10-19-17(21)12-6-8-15(22-4)13(18)9-12/h5-9,14H,10H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyNEIUXXKTHQMLKP-CQSZACIVSA-N
XLogP3.28
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
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
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide (CID 26834913) is 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide?
The InChIKey is NEIUXXKTHQMLKP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-11-5-7-16(23-11)14(20(2)3)10-19-17(21)12-6-8-15(22-4)13(18)9-12/h5-9,14H,10H2,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide?
3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide has a molecular weight of 336.82 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 26834913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).