N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide

C15H19BrFNO — CID 114457942

IUPACN-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H19BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2,(H,18,19)
InChIKeyDUBCUGZXEUBFAV-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.89
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide

N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide (PubChem CID 114457942) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
PubChem CID114457942
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H19BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2,(H,18,19)
InChIKeyDUBCUGZXEUBFAV-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
3-[4-[(2-cyclopentylacetyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76907595
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172
N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide
CID 103163742
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79139023
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide (CID 114457942) is N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide is O=C(CC1CCCCCC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide?
The InChIKey is DUBCUGZXEUBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide?
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide has a molecular weight of 328.22 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114457942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).