4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide

C14H15BrFNO — CID 47421971

IUPAC4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H15BrFNO/c15-11-6-5-10(7-12(11)16)14(18)17-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,17,18)
InChIKeyWTISTAJMKVQLEY-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.51
Rot. Bonds4

About 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide

4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide (PubChem CID 47421971) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide
PubChem CID47421971
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H15BrFNO/c15-11-6-5-10(7-12(11)16)14(18)17-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,17,18)
InChIKeyWTISTAJMKVQLEY-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

N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
N-(dicyclopropylmethyl)naphthalene-2-carboxamide
CID 18146384
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
CID 66462749
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
3-chloro-N-(dicyclopropylmethyl)benzamide
CID 18153337
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide (CID 47421971) is 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide is O=C(NC(C1CC1)C1CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide?
The InChIKey is WTISTAJMKVQLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c15-11-6-5-10(7-12(11)16)14(18)17-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,17,18).
What are the key properties of 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide?
4-bromo-N-(dicyclopropylmethyl)-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 4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide is sourced from PubChem (CID 47421971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).