2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide

C15H15Cl2NO2S — CID 100722892

IUPAC2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide
SMILESC[C@@H](O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-9(19)14-5-3-11(21-14)6-7-18-15(20)12-8-10(16)2-4-13(12)17/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyAUHPNBXAYJAUSZ-SECBINFHSA-N
MW344.26 g/mol
LogP4.08
Rot. Bonds5

About 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide

2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide (PubChem CID 100722892) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide
PubChem CID100722892
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide
SMILESC[C@@H](O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-9(19)14-5-3-11(21-14)6-7-18-15(20)12-8-10(16)2-4-13(12)17/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyAUHPNBXAYJAUSZ-SECBINFHSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide
CID 124759588
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
2,4-dichloro-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-5-methylbenzenesulfonamide
CID 100723482
1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 100723881
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179034
(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
CID 100723065
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide (CID 100722892) is 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide is C[C@@H](O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide?
The InChIKey is AUHPNBXAYJAUSZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-9(19)14-5-3-11(21-14)6-7-18-15(20)12-8-10(16)2-4-13(12)17/h2-5,8-9,19H,6-7H2,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide?
2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide has a molecular weight of 344.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide is sourced from PubChem (CID 100722892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).