N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide

C15H21ClN2O — CID 113272407

IUPACN-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(CCl)CCCC2)cc1
InChIInChI=1S/C15H21ClN2O/c1-18(2)13-7-5-12(6-8-13)14(19)17-15(11-16)9-3-4-10-15/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyZYHOOHYGVDGHIJ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide

N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide (PubChem CID 113272407) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
PubChem CID113272407
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(CCl)CCCC2)cc1
InChIInChI=1S/C15H21ClN2O/c1-18(2)13-7-5-12(6-8-13)14(19)17-15(11-16)9-3-4-10-15/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyZYHOOHYGVDGHIJ-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.03
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

N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
N-[4-(bromomethyl)oxan-4-yl]-4-(dimethylamino)benzamide
CID 106300880
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide (CID 113272407) is N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2(CCl)CCCC2)cc1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide?
The InChIKey is ZYHOOHYGVDGHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18(2)13-7-5-12(6-8-13)14(19)17-15(11-16)9-3-4-10-15/h5-8H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide?
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 113272407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).