(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone

C14H11BrClNO — CID 107100346

IUPAC(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1ccc(N)cc1Br
InChIInChI=1S/C14H11BrClNO/c1-8-10(3-2-4-13(8)16)14(18)11-6-5-9(17)7-12(11)15/h2-7H,17H2,1H3
InChIKeyYKPDSRZGKXANJJ-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.22
Rot. Bonds2

About (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone

(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 107100346) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
PubChem CID107100346
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1ccc(N)cc1Br
InChIInChI=1S/C14H11BrClNO/c1-8-10(3-2-4-13(8)16)14(18)11-6-5-9(17)7-12(11)15/h2-7H,17H2,1H3
InChIKeyYKPDSRZGKXANJJ-UHFFFAOYSA-N
XLogP4.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(4-amino-2-bromophenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81461861
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141
5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107096175
(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
CID 116602810
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(2-chlorophenyl)-(2,5-diaminophenyl)methanone;hydrochloride
CID 6429540
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
CID 118105017
(2,4-dibromophenyl)-(2,3-dichlorophenyl)methanone
CID 107944424

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone (CID 107100346) is (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)c1ccc(N)cc1Br.
What is the InChIKey of (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is YKPDSRZGKXANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-8-10(3-2-4-13(8)16)14(18)11-6-5-9(17)7-12(11)15/h2-7H,17H2,1H3.
What are the key properties of (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone has a molecular weight of 324.61 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107100346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).