4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C14H19ClN2O — CID 114137648

IUPAC4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN1CCCC1CNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H19ClN2O/c1-17-8-2-3-13(17)10-16-14(18)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyZEFXQLJOCDFDTF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.25
Rot. Bonds4

About 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 114137648) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID114137648
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN1CCCC1CNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H19ClN2O/c1-17-8-2-3-13(17)10-16-14(18)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyZEFXQLJOCDFDTF-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.25
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

4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 95873116
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027973

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 114137648) is 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is CN1CCCC1CNC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is ZEFXQLJOCDFDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17-8-2-3-13(17)10-16-14(18)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 114137648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).