(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone

C19H16BrNO2 — CID 138983241

IUPAC(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
SMILESCCOc1ccc2ccc(C(=O)c3cc(Br)ccc3N)cc2c1
InChIInChI=1S/C19H16BrNO2/c1-2-23-16-7-5-12-3-4-13(9-14(12)10-16)19(22)17-11-15(20)6-8-18(17)21/h3-11H,2,21H2,1H3
InChIKeyQUQYWZRKHDLTHY-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.81
Rot. Bonds4

About (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone

(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone (PubChem CID 138983241) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
PubChem CID138983241
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
SMILESCCOc1ccc2ccc(C(=O)c3cc(Br)ccc3N)cc2c1
InChIInChI=1S/C19H16BrNO2/c1-2-23-16-7-5-12-3-4-13(9-14(12)10-16)19(22)17-11-15(20)6-8-18(17)21/h3-11H,2,21H2,1H3
InChIKeyQUQYWZRKHDLTHY-UHFFFAOYSA-N
XLogP4.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
2-bromo-7-ethoxynaphthalene
CID 22240149
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
CID 82697228
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63732050
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone (CID 138983241) is (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone is CCOc1ccc2ccc(C(=O)c3cc(Br)ccc3N)cc2c1.
What is the InChIKey of (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone?
The InChIKey is QUQYWZRKHDLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-2-23-16-7-5-12-3-4-13(9-14(12)10-16)19(22)17-11-15(20)6-8-18(17)21/h3-11H,2,21H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone?
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone has a molecular weight of 370.25 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 138983241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).