(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone

C14H10BrF2NO — CID 106943985

IUPAC(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
SMILESCc1ccc(C(=O)c2c(F)ccc(Br)c2F)cc1N
InChIInChI=1S/C14H10BrF2NO/c1-7-2-3-8(6-11(7)18)14(19)12-10(16)5-4-9(15)13(12)17/h2-6H,18H2,1H3
InChIKeyNXYRWEUMFKJBHY-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.85
Rot. Bonds2

About (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone

(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone (PubChem CID 106943985) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
PubChem CID106943985
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
SMILESCc1ccc(C(=O)c2c(F)ccc(Br)c2F)cc1N
InChIInChI=1S/C14H10BrF2NO/c1-7-2-3-8(6-11(7)18)14(19)12-10(16)5-4-9(15)13(12)17/h2-6H,18H2,1H3
InChIKeyNXYRWEUMFKJBHY-UHFFFAOYSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone (CID 106943985) is (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone is Cc1ccc(C(=O)c2c(F)ccc(Br)c2F)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone?
The InChIKey is NXYRWEUMFKJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-7-2-3-8(6-11(7)18)14(19)12-10(16)5-4-9(15)13(12)17/h2-6H,18H2,1H3.
What are the key properties of (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone?
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone has a molecular weight of 326.14 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone is sourced from PubChem (CID 106943985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).