N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide

C17H24BrNO2 — CID 115364317

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2(CBr)CCCC2)c1
InChIInChI=1S/C17H24BrNO2/c1-13(2)21-15-7-5-6-14(10-15)16(20)19-12-17(11-18)8-3-4-9-17/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyQWMYIPNVGJLBEU-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.16
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide (PubChem CID 115364317) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
PubChem CID115364317
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2(CBr)CCCC2)c1
InChIInChI=1S/C17H24BrNO2/c1-13(2)21-15-7-5-6-14(10-15)16(20)19-12-17(11-18)8-3-4-9-17/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyQWMYIPNVGJLBEU-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide 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-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
CID 114757262
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
CID 115456213
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-propan-2-ylbenzamide
CID 103969744
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide
CID 172888624
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide (CID 115364317) is N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCC2(CBr)CCCC2)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
The InChIKey is QWMYIPNVGJLBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-13(2)21-15-7-5-6-14(10-15)16(20)19-12-17(11-18)8-3-4-9-17/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide has a molecular weight of 354.29 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 115364317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).