N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide

C14H17BrClNO — CID 106127832

IUPACN-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(Br)C2)cc1Cl
InChIInChI=1S/C14H17BrClNO/c1-9-2-4-11(7-13(9)16)14(18)17-8-10-3-5-12(15)6-10/h2,4,7,10,12H,3,5-6,8H2,1H3,(H,17,18)
InChIKeyBCDFMTVJHWYSIP-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.94
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide

N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide (PubChem CID 106127832) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
PubChem CID106127832
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(Br)C2)cc1Cl
InChIInChI=1S/C14H17BrClNO/c1-9-2-4-11(7-13(9)16)14(18)17-8-10-3-5-12(15)6-10/h2,4,7,10,12H,3,5-6,8H2,1H3,(H,17,18)
InChIKeyBCDFMTVJHWYSIP-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.94
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-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
CID 106127955
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide (CID 106127832) is N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCC(Br)C2)cc1Cl.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide?
The InChIKey is BCDFMTVJHWYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-9-2-4-11(7-13(9)16)14(18)17-8-10-3-5-12(15)6-10/h2,4,7,10,12H,3,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide?
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide is sourced from PubChem (CID 106127832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).