(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone

C14H11BrClNO — CID 25257909

IUPAC(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H11BrClNO/c1-8-10(3-2-4-12(8)16)14(18)11-7-9(15)5-6-13(11)17/h2-7H,17H2,1H3
InChIKeyFVUZTYMJYLTBKH-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.22
Rot. Bonds2

About (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone

(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 25257909) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
PubChem CID25257909
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1cc(Br)ccc1N
InChIInChI=1S/C14H11BrClNO/c1-8-10(3-2-4-12(8)16)14(18)11-7-9(15)5-6-13(11)17/h2-7H,17H2,1H3
InChIKeyFVUZTYMJYLTBKH-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141
(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
CID 146005790
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107096175
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone (CID 25257909) is (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)c1cc(Br)ccc1N.
What is the InChIKey of (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is FVUZTYMJYLTBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-8-10(3-2-4-12(8)16)14(18)11-7-9(15)5-6-13(11)17/h2-7H,17H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone?
(2-amino-5-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 (2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 25257909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).