2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide

C13H15BrFNO — CID 43270647

IUPAC2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H15BrFNO/c1-2-7-16(10-4-5-10)13(17)11-8-9(15)3-6-12(11)14/h3,6,8,10H,2,4-5,7H2,1H3
InChIKeyDXEGLPZYNXPGTA-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.60
Rot. Bonds4

About 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide

2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide (PubChem CID 43270647) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
PubChem CID43270647
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H15BrFNO/c1-2-7-16(10-4-5-10)13(17)11-8-9(15)3-6-12(11)14/h3,6,8,10H,2,4-5,7H2,1H3
InChIKeyDXEGLPZYNXPGTA-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 43243374
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide (CID 43270647) is 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide is CCCN(C(=O)c1cc(F)ccc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide?
The InChIKey is DXEGLPZYNXPGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-2-7-16(10-4-5-10)13(17)11-8-9(15)3-6-12(11)14/h3,6,8,10H,2,4-5,7H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide?
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide is sourced from PubChem (CID 43270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).