N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide

C14H16BrF2NO2 — CID 114313814

IUPACN-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCC1CCCC1Br)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H16BrF2NO2/c15-12-6-2-4-10(12)8-18-13(19)9-3-1-5-11(7-9)20-14(16)17/h1,3,5,7,10,12,14H,2,4,6,8H2,(H,18,19)
InChIKeyGIOCIONSGIENLN-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.58
Rot. Bonds5

About N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide

N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide (PubChem CID 114313814) has the molecular formula C14H16BrF2NO2 and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
PubChem CID114313814
Molecular FormulaC14H16BrF2NO2
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC NameN-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCC1CCCC1Br)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H16BrF2NO2/c15-12-6-2-4-10(12)8-18-13(19)9-3-1-5-11(7-9)20-14(16)17/h1,3,5,7,10,12,14H,2,4,6,8H2,(H,18,19)
InChIKeyGIOCIONSGIENLN-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.58
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

3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114700030
N-[(2-bromocyclopentyl)methyl]-3-nitrobenzamide
CID 114313737
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
3-(difluoromethoxy)-N-(1,4-dithian-2-ylmethyl)benzamide
CID 122150276
3-(difluoromethoxy)-N-[[(2S)-1,4-dithian-2-yl]methyl]benzamide
CID 124609151
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
CID 114301436
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide (CID 114313814) is N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide is O=C(NCC1CCCC1Br)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide?
The InChIKey is GIOCIONSGIENLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO2/c15-12-6-2-4-10(12)8-18-13(19)9-3-1-5-11(7-9)20-14(16)17/h1,3,5,7,10,12,14H,2,4,6,8H2,(H,18,19).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide?
N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide has a molecular weight of 348.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 114313814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).