(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone

C16H16BrNO2 — CID 82704223

IUPAC(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(Br)ccc2N)cc1
InChIInChI=1S/C16H16BrNO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-10-12(17)5-8-15(14)18/h3-8,10H,2,9,18H2,1H3
InChIKeyVVLZQCCZWYQAPM-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.05
Rot. Bonds5

About (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone

(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone (PubChem CID 82704223) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
PubChem CID82704223
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(Br)ccc2N)cc1
InChIInChI=1S/C16H16BrNO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-10-12(17)5-8-15(14)18/h3-8,10H,2,9,18H2,1H3
InChIKeyVVLZQCCZWYQAPM-UHFFFAOYSA-N
XLogP4.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.05
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

(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
CID 138983241
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
2-amino-5-propoxybenzoic acid
CID 12719187
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
[4-(2-phenoxyethoxycarbonyl)phenyl] 5-bromo-2-propoxybenzoate
CID 17151537
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone (CID 82704223) is (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cc(Br)ccc2N)cc1.
What is the InChIKey of (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone?
The InChIKey is VVLZQCCZWYQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-10-12(17)5-8-15(14)18/h3-8,10H,2,9,18H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone?
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone has a molecular weight of 334.21 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 82704223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).