N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide

C13H15BrClNO — CID 114311465

IUPACN-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15BrClNO/c14-9-13(7-1-2-8-13)16-12(17)10-3-5-11(15)6-4-10/h3-6H,1-2,7-9H2,(H,16,17)
InChIKeyJKIAFJRYOVFMBQ-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide

N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide (PubChem CID 114311465) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
PubChem CID114311465
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15BrClNO/c14-9-13(7-1-2-8-13)16-12(17)10-3-5-11(15)6-4-10/h3-6H,1-2,7-9H2,(H,16,17)
InChIKeyJKIAFJRYOVFMBQ-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.78
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

N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide (CID 114311465) is N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide is O=C(NC1(CBr)CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide?
The InChIKey is JKIAFJRYOVFMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-9-13(7-1-2-8-13)16-12(17)10-3-5-11(15)6-4-10/h3-6H,1-2,7-9H2,(H,16,17).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide?
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide has a molecular weight of 316.63 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide is sourced from PubChem (CID 114311465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).