2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide

C14H17BrFNO — CID 60669039

IUPAC2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H17BrFNO/c1-2-7-17(9-10-3-4-10)14(18)12-8-11(16)5-6-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeySKRAOWJOINTLCG-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.85
Rot. Bonds5

About 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide

2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide (PubChem CID 60669039) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
PubChem CID60669039
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H17BrFNO/c1-2-7-17(9-10-3-4-10)14(18)12-8-11(16)5-6-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeySKRAOWJOINTLCG-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 79714030
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide (CID 60669039) is 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide?
The InChIKey is SKRAOWJOINTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-2-7-17(9-10-3-4-10)14(18)12-8-11(16)5-6-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide?
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide has a molecular weight of 314.20 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide is sourced from PubChem (CID 60669039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).