3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide

C15H16ClNOS — CID 61473727

IUPAC3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H16ClNOS/c1-11(7-13-5-6-19-10-13)17-15(18)14-4-2-3-12(8-14)9-16/h2-6,8,10-11H,7,9H2,1H3,(H,17,18)
InChIKeyPYUNKVHUFCIQOQ-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.85
Rot. Bonds5

About 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide

3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 61473727) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID61473727
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H16ClNOS/c1-11(7-13-5-6-19-10-13)17-15(18)14-4-2-3-12(8-14)9-16/h2-6,8,10-11H,7,9H2,1H3,(H,17,18)
InChIKeyPYUNKVHUFCIQOQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.85
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

2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
3-(chloromethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 43578897
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 61473727) is 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide is CC(Cc1ccsc1)NC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is PYUNKVHUFCIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-11(7-13-5-6-19-10-13)17-15(18)14-4-2-3-12(8-14)9-16/h2-6,8,10-11H,7,9H2,1H3,(H,17,18).
What are the key properties of 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide has a molecular weight of 293.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61473727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).