3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide

C10H18BrNO — CID 107417690

IUPAC3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
SMILESCC1CCCC1CNC(=O)CCBr
InChIInChI=1S/C10H18BrNO/c1-8-3-2-4-9(8)7-12-10(13)5-6-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyNUMKTJHNKOLYAN-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.32
Rot. Bonds4

About 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide

3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide (PubChem CID 107417690) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
PubChem CID107417690
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
SMILESCC1CCCC1CNC(=O)CCBr
InChIInChI=1S/C10H18BrNO/c1-8-3-2-4-9(8)7-12-10(13)5-6-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyNUMKTJHNKOLYAN-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.32
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

5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107910816
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
(2-methylcyclopentyl)methylurea
CID 107417745
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418293

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide (CID 107417690) is 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide is CC1CCCC1CNC(=O)CCBr.
What is the InChIKey of 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide?
The InChIKey is NUMKTJHNKOLYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8-3-2-4-9(8)7-12-10(13)5-6-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide?
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide has a molecular weight of 248.16 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 107417690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).