3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide

C14H16Cl3NO — CID 115363928

IUPAC3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CCl)CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl3NO/c15-8-14(5-1-2-6-14)9-18-13(19)10-3-4-11(16)12(17)7-10/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyNMMROIDSCRAQAG-UHFFFAOYSA-N
MW320.65 g/mol
LogP4.52
Rot. Bonds4

About 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide

3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide (PubChem CID 115363928) has the molecular formula C14H16Cl3NO and a molecular weight of 320.65 g/mol. Its IUPAC name is 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
PubChem CID115363928
Molecular FormulaC14H16Cl3NO
Molecular Weight320.65 g/mol
Exact Mass319.03
IUPAC Name3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CCl)CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl3NO/c15-8-14(5-1-2-6-14)9-18-13(19)10-3-4-11(16)12(17)7-10/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyNMMROIDSCRAQAG-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115363867
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide (CID 115363928) is 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide is O=C(NCC1(CCl)CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
The InChIKey is NMMROIDSCRAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO/c15-8-14(5-1-2-6-14)9-18-13(19)10-3-4-11(16)12(17)7-10/h3-4,7H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide?
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide has a molecular weight of 320.65 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 115363928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).