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

C14H17BrClNO — CID 106129095

IUPACN-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCC(Br)C2)ccc1Cl
InChIInChI=1S/C14H17BrClNO/c1-9-6-11(3-5-13(9)16)14(18)17-8-10-2-4-12(15)7-10/h3,5-6,10,12H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyKCCXKYJJCNOIMW-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.94
Rot. Bonds3

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

N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide (PubChem CID 106129095) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
PubChem CID106129095
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCC(Br)C2)ccc1Cl
InChIInChI=1S/C14H17BrClNO/c1-9-6-11(3-5-13(9)16)14(18)17-8-10-2-4-12(15)7-10/h3,5-6,10,12H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyKCCXKYJJCNOIMW-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
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
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide (CID 106129095) is N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide is Cc1cc(C(=O)NCC2CCC(Br)C2)ccc1Cl.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide?
The InChIKey is KCCXKYJJCNOIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-9-6-11(3-5-13(9)16)14(18)17-8-10-2-4-12(15)7-10/h3,5-6,10,12H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide?
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-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]-4-chloro-3-methylbenzamide is sourced from PubChem (CID 106129095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).