(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone

C14H11BrClNO2 — CID 112580783

IUPAC(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(N)c2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClNO2/c1-19-8-5-6-9(11(15)7-8)14(18)10-3-2-4-12(17)13(10)16/h2-7H,17H2,1H3
InChIKeyRTDHVYVGFZAAEK-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.92
Rot. Bonds3

About (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone

(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone (PubChem CID 112580783) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
PubChem CID112580783
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(N)c2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClNO2/c1-19-8-5-6-9(11(15)7-8)14(18)10-3-2-4-12(17)13(10)16/h2-7H,17H2,1H3
InChIKeyRTDHVYVGFZAAEK-UHFFFAOYSA-N
XLogP3.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(3-amino-2-chlorophenyl)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 115937333
(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 79214245
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 112580769
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81454699

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone (CID 112580783) is (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc(N)c2Cl)c(Br)c1.
What is the InChIKey of (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone?
The InChIKey is RTDHVYVGFZAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-19-8-5-6-9(11(15)7-8)14(18)10-3-2-4-12(17)13(10)16/h2-7H,17H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone?
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone has a molecular weight of 340.60 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone is sourced from PubChem (CID 112580783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).