2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide

C19H21Cl2NO2S — CID 121179034

IUPAC2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESCC(O)c1ccc(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCC2)s1
InChIInChI=1S/C19H21Cl2NO2S/c1-12(23)16-6-7-17(25-16)19(8-2-3-9-19)11-22-18(24)14-5-4-13(20)10-15(14)21/h4-7,10,12,23H,2-3,8-9,11H2,1H3,(H,22,24)
InChIKeyYQWKIEYNOVUQOS-UHFFFAOYSA-N
MW398.36 g/mol
LogP5.35
Rot. Bonds5

About 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide

2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide (PubChem CID 121179034) has the molecular formula C19H21Cl2NO2S and a molecular weight of 398.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
PubChem CID121179034
Molecular FormulaC19H21Cl2NO2S
Molecular Weight398.36 g/mol
Exact Mass397.07
IUPAC Name2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESCC(O)c1ccc(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCC2)s1
InChIInChI=1S/C19H21Cl2NO2S/c1-12(23)16-6-7-17(25-16)19(8-2-3-9-19)11-22-18(24)14-5-4-13(20)10-15(14)21/h4-7,10,12,23H,2-3,8-9,11H2,1H3,(H,22,24)
InChIKeyYQWKIEYNOVUQOS-UHFFFAOYSA-N
XLogP5.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]naphthalene-1-carboxamide
CID 121178997
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121178967
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
N'-(5-chloro-2-cyanophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]oxamide
CID 121179274
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
4-(dimethylamino)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121178983
3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179059
1-(3,5-dimethylphenyl)-3-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]urea
CID 121179309
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
CID 121178991
N'-(2,5-difluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]oxamide
CID 121179249

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide (CID 121179034) is 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide is CC(O)c1ccc(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCC2)s1.
What is the InChIKey of 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The InChIKey is YQWKIEYNOVUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2S/c1-12(23)16-6-7-17(25-16)19(8-2-3-9-19)11-22-18(24)14-5-4-13(20)10-15(14)21/h4-7,10,12,23H,2-3,8-9,11H2,1H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide has a molecular weight of 398.36 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide is sourced from PubChem (CID 121179034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).