(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

C14H10BrClFNO — CID 105400288

IUPAC(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESCc1cccc(N)c1C(=O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H10BrClFNO/c1-7-3-2-4-12(18)13(7)14(19)8-5-10(16)9(15)6-11(8)17/h2-6H,18H2,1H3
InChIKeyLEQVQPVYRQFIGR-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.36
Rot. Bonds2

About (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (PubChem CID 105400288) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
PubChem CID105400288
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESCc1cccc(N)c1C(=O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H10BrClFNO/c1-7-3-2-4-12(18)13(7)14(19)8-5-10(16)9(15)6-11(8)17/h2-6H,18H2,1H3
InChIKeyLEQVQPVYRQFIGR-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_1', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(2-amino-6-methylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837614
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
CID 107608664
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (CID 105400288) is (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is Cc1cccc(N)c1C(=O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The InChIKey is LEQVQPVYRQFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-7-3-2-4-12(18)13(7)14(19)8-5-10(16)9(15)6-11(8)17/h2-6H,18H2,1H3.
What are the key properties of (2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
(2-amino-6-methylphenyl)-(4-bromo-5-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-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 105400288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).