N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide

C14H20BrNO2 — CID 113275468

IUPACN-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC1(CBr)CCCCC1
InChIInChI=1S/C14H20BrNO2/c15-11-14(8-2-1-3-9-14)16-13(17)7-6-12-5-4-10-18-12/h4-5,10H,1-3,6-9,11H2,(H,16,17)
InChIKeyWHVICEXKGDDAOM-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide

N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide (PubChem CID 113275468) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
PubChem CID113275468
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC1(CBr)CCCCC1
InChIInChI=1S/C14H20BrNO2/c15-11-14(8-2-1-3-9-14)16-13(17)7-6-12-5-4-10-18-12/h4-5,10H,1-3,6-9,11H2,(H,16,17)
InChIKeyWHVICEXKGDDAOM-UHFFFAOYSA-N
XLogP3.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide
CID 61119958
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide
CID 164632647
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide (CID 113275468) is N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide?
The InChIKey is WHVICEXKGDDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-11-14(8-2-1-3-9-14)16-13(17)7-6-12-5-4-10-18-12/h4-5,10H,1-3,6-9,11H2,(H,16,17).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide?
N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide has a molecular weight of 314.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 113275468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).