2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide

C14H15BrFNO — CID 114096122

IUPAC2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1cccc(F)c1Br
InChIInChI=1S/C14H15BrFNO/c15-12-10(2-1-3-11(12)16)13(18)17-8-14(6-7-14)9-4-5-9/h1-3,9H,4-8H2,(H,17,18)
InChIKeyJKCVNWRUQIVIQE-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.51
Rot. Bonds4

About 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide

2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide (PubChem CID 114096122) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
PubChem CID114096122
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1cccc(F)c1Br
InChIInChI=1S/C14H15BrFNO/c15-12-10(2-1-3-11(12)16)13(18)17-8-14(6-7-14)9-4-5-9/h1-3,9H,4-8H2,(H,17,18)
InChIKeyJKCVNWRUQIVIQE-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
4-[[(2-bromo-3-fluorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438483
2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
CID 103932730
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
CID 103839382
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]-3-nitrobenzamide
CID 103839379
N-[(1-cyclopropylcyclopropyl)methyl]-4,5-difluoro-2-nitrobenzamide
CID 103841319
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103839394
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide (CID 114096122) is 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide is O=C(NCC1(C2CC2)CC1)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide?
The InChIKey is JKCVNWRUQIVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c15-12-10(2-1-3-11(12)16)13(18)17-8-14(6-7-14)9-4-5-9/h1-3,9H,4-8H2,(H,17,18).
What are the key properties of 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide?
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide has a molecular weight of 312.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 114096122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).