(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone

C16H14ClNO2 — CID 114747933

IUPAC(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESNc1ccc(C(=O)c2cccc3c2OCCC3)cc1Cl
InChIInChI=1S/C16H14ClNO2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9H,2,4,8,18H2
InChIKeyAEIYHGZTOLRKKF-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.48
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone

(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone (PubChem CID 114747933) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
PubChem CID114747933
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESNc1ccc(C(=O)c2cccc3c2OCCC3)cc1Cl
InChIInChI=1S/C16H14ClNO2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9H,2,4,8,18H2
InChIKeyAEIYHGZTOLRKKF-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.48
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

(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
(4-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544276
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(4-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744120
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone (CID 114747933) is (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone is Nc1ccc(C(=O)c2cccc3c2OCCC3)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The InChIKey is AEIYHGZTOLRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9H,2,4,8,18H2.
What are the key properties of (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone is sourced from PubChem (CID 114747933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).