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

C15H15ClN2O — CID 81403974

IUPAC3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CCl)c1)c1cccnc1
InChIInChI=1S/C15H15ClN2O/c1-11(14-6-3-7-17-10-14)18-15(19)13-5-2-4-12(8-13)9-16/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyICCRMJLQHUDVJZ-LLVKDONJSA-N
MW274.75 g/mol
LogP3.31
Rot. Bonds4

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

3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide (PubChem CID 81403974) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
PubChem CID81403974
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CCl)c1)c1cccnc1
InChIInChI=1S/C15H15ClN2O/c1-11(14-6-3-7-17-10-14)18-15(19)13-5-2-4-12(8-13)9-16/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyICCRMJLQHUDVJZ-LLVKDONJSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.31
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-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 43470617
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide (CID 81403974) is 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide is C[C@@H](NC(=O)c1cccc(CCl)c1)c1cccnc1.
What is the InChIKey of 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is ICCRMJLQHUDVJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(14-6-3-7-17-10-14)18-15(19)13-5-2-4-12(8-13)9-16/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.31, 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-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 81403974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).