2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide

C17H21BrFNO — CID 60956169

IUPAC2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1Br)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H21BrFNO/c18-16-10-13(19)6-9-15(16)17(21)20(14-7-8-14)11-12-4-2-1-3-5-12/h6,9-10,12,14H,1-5,7-8,11H2
InChIKeyHPLGOLCQIKYMRW-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.77
Rot. Bonds4

About 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide

2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide (PubChem CID 60956169) has the molecular formula C17H21BrFNO and a molecular weight of 354.26 g/mol. Its IUPAC name is 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
PubChem CID60956169
Molecular FormulaC17H21BrFNO
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC Name2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1Br)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H21BrFNO/c18-16-10-13(19)6-9-15(16)17(21)20(14-7-8-14)11-12-4-2-1-3-5-12/h6,9-10,12,14H,1-5,7-8,11H2
InChIKeyHPLGOLCQIKYMRW-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide (CID 60956169) is 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide is O=C(c1ccc(F)cc1Br)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide?
The InChIKey is HPLGOLCQIKYMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNO/c18-16-10-13(19)6-9-15(16)17(21)20(14-7-8-14)11-12-4-2-1-3-5-12/h6,9-10,12,14H,1-5,7-8,11H2.
What are the key properties of 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide?
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide has a molecular weight of 354.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide is sourced from PubChem (CID 60956169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).