3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C14H14ClNOS — CID 81408549

IUPAC3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CCl)c1)c1cccs1
InChIInChI=1S/C14H14ClNOS/c1-10(13-6-3-7-18-13)16-14(17)12-5-2-4-11(8-12)9-15/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyMSTGNSFAHXAGLO-SNVBAGLBSA-N
MW279.79 g/mol
LogP3.98
Rot. Bonds4

About 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide

3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 81408549) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID81408549
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CCl)c1)c1cccs1
InChIInChI=1S/C14H14ClNOS/c1-10(13-6-3-7-18-13)16-14(17)12-5-2-4-11(8-12)9-15/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyMSTGNSFAHXAGLO-SNVBAGLBSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 31110060
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
CID 97230259
3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 43470617
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 81408549) is 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide is C[C@@H](NC(=O)c1cccc(CCl)c1)c1cccs1.
What is the InChIKey of 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is MSTGNSFAHXAGLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10(13-6-3-7-18-13)16-14(17)12-5-2-4-11(8-12)9-15/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 279.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 81408549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).