4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C13H12ClNOS — CID 7742310

IUPAC4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C13H12ClNOS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyOKZOBGJJIPAJKM-SECBINFHSA-N
MW265.77 g/mol
LogP3.89
Rot. Bonds3

About 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 7742310) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID7742310
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C13H12ClNOS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyOKZOBGJJIPAJKM-SECBINFHSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide
CID 51151878
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 7742310) is 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is OKZOBGJJIPAJKM-SECBINFHSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-9H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 265.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7742310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).