[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone

C14H10BrClFNO — CID 106763911

IUPAC[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
SMILESNCc1ccc(C(=O)c2ccc(Br)c(Cl)c2F)cc1
InChIInChI=1S/C14H10BrClFNO/c15-11-6-5-10(13(17)12(11)16)14(19)9-3-1-8(7-18)2-4-9/h1-6H,7,18H2
InChIKeyIQZDNDWMTCRZCW-UHFFFAOYSA-N
MW342.60 g/mol
LogP3.93
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone

[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone (PubChem CID 106763911) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
PubChem CID106763911
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
SMILESNCc1ccc(C(=O)c2ccc(Br)c(Cl)c2F)cc1
InChIInChI=1S/C14H10BrClFNO/c15-11-6-5-10(13(17)12(11)16)14(19)9-3-1-8(7-18)2-4-9/h1-6H,7,18H2
InChIKeyIQZDNDWMTCRZCW-UHFFFAOYSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 106761864
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 106761787
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)butan-1-one
CID 106763995
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 106764103
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
CID 106763954
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone (CID 106763911) is [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone is NCc1ccc(C(=O)c2ccc(Br)c(Cl)c2F)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone?
The InChIKey is IQZDNDWMTCRZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-11-6-5-10(13(17)12(11)16)14(19)9-3-1-8(7-18)2-4-9/h1-6H,7,18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone?
[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone has a molecular weight of 342.60 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 106763911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).