(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone

C14H10BrClFNO — CID 106764014

IUPAC(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C14H10BrClFNO/c1-7-2-5-11(18)9(6-7)14(19)8-3-4-10(15)12(16)13(8)17/h2-6H,18H2,1H3
InChIKeyBMORQYNRSUAJAT-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.36
Rot. Bonds2

About (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone

(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone (PubChem CID 106764014) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
PubChem CID106764014
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C14H10BrClFNO/c1-7-2-5-11(18)9(6-7)14(19)8-3-4-10(15)12(16)13(8)17/h2-6H,18H2,1H3
InChIKeyBMORQYNRSUAJAT-UHFFFAOYSA-N
XLogP4.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone (CID 106764014) is (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone is Cc1ccc(N)c(C(=O)c2ccc(Br)c(Cl)c2F)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone?
The InChIKey is BMORQYNRSUAJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-7-2-5-11(18)9(6-7)14(19)8-3-4-10(15)12(16)13(8)17/h2-6H,18H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone?
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone has a molecular weight of 342.60 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 106764014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).