N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide

C15H19BrFN3O2 — CID 51123201

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)NC1CC1
InChIInChI=1S/C15H19BrFN3O2/c1-2-20(9-10-7-11(16)3-6-13(10)17)14(21)8-18-15(22)19-12-4-5-12/h3,6-7,12H,2,4-5,8-9H2,1H3,(H2,18,19,22)
InChIKeyWBWCPVVFWHYAMU-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.40
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide (PubChem CID 51123201) has the molecular formula C15H19BrFN3O2 and a molecular weight of 372.24 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
PubChem CID51123201
Molecular FormulaC15H19BrFN3O2
Molecular Weight372.24 g/mol
Exact Mass371.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)NC1CC1
InChIInChI=1S/C15H19BrFN3O2/c1-2-20(9-10-7-11(16)3-6-13(10)17)14(21)8-18-15(22)19-12-4-5-12/h3,6-7,12H,2,4-5,8-9H2,1H3,(H2,18,19,22)
InChIKeyWBWCPVVFWHYAMU-UHFFFAOYSA-N
XLogP2.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
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CID 55594795
N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide
CID 55593770
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120591120
3-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpropanamide
CID 55595029
3-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-1-methylurea
CID 78917173

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide (CID 51123201) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide is CCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)NC1CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide?
The InChIKey is WBWCPVVFWHYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O2/c1-2-20(9-10-7-11(16)3-6-13(10)17)14(21)8-18-15(22)19-12-4-5-12/h3,6-7,12H,2,4-5,8-9H2,1H3,(H2,18,19,22).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide has a molecular weight of 372.24 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide is sourced from PubChem (CID 51123201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).