2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide

C15H15Cl2NO3S — CID 97321033

IUPAC2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NC[C@@](C)(O)c2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-15(20,13-4-3-5-21-13)8-18-14(19)9-6-12(22-2)11(17)7-10(9)16/h3-7,20H,8H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyGINPZQQBHRQDDK-OAHLLOKOSA-N
MW360.26 g/mol
LogP3.95
Rot. Bonds5

About 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide

2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide (PubChem CID 97321033) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
PubChem CID97321033
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
SMILESCSc1cc(C(=O)NC[C@@](C)(O)c2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-15(20,13-4-3-5-21-13)8-18-14(19)9-6-12(22-2)11(17)7-10(9)16/h3-7,20H,8H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyGINPZQQBHRQDDK-OAHLLOKOSA-N
XLogP3.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide (CID 97321033) is 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide is CSc1cc(C(=O)NC[C@@](C)(O)c2ccco2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide?
The InChIKey is GINPZQQBHRQDDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-15(20,13-4-3-5-21-13)8-18-14(19)9-6-12(22-2)11(17)7-10(9)16/h3-7,20H,8H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide?
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide has a molecular weight of 360.26 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 97321033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).