[3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone

C18H17BrFNO — CID 58171005

IUPAC[3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone
SMILESCc1c(Br)cc(CNC2CC2)cc1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H17BrFNO/c1-11-16(18(22)13-3-2-4-14(20)9-13)7-12(8-17(11)19)10-21-15-5-6-15/h2-4,7-9,15,21H,5-6,10H2,1H3
InChIKeyKCWWNRMOQUKDGJ-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.38
Rot. Bonds5

About [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone

[3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone (PubChem CID 58171005) has the molecular formula C18H17BrFNO and a molecular weight of 362.24 g/mol. Its IUPAC name is [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone
PubChem CID58171005
Molecular FormulaC18H17BrFNO
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name[3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone
SMILESCc1c(Br)cc(CNC2CC2)cc1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H17BrFNO/c1-11-16(18(22)13-3-2-4-14(20)9-13)7-12(8-17(11)19)10-21-15-5-6-15/h2-4,7-9,15,21H,5-6,10H2,1H3
InChIKeyKCWWNRMOQUKDGJ-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone (CID 58171005) is [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone is Cc1c(Br)cc(CNC2CC2)cc1C(=O)c1cccc(F)c1.
What is the InChIKey of [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone?
The InChIKey is KCWWNRMOQUKDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO/c1-11-16(18(22)13-3-2-4-14(20)9-13)7-12(8-17(11)19)10-21-15-5-6-15/h2-4,7-9,15,21H,5-6,10H2,1H3.
What are the key properties of [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone?
[3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone has a molecular weight of 362.24 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 58171005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).