(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone

C16H14ClNO2 — CID 114520685

IUPAC(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESNc1cc(Cl)cc(C(=O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C16H14ClNO2/c17-12-7-11(8-13(18)9-12)16(19)10-1-3-14(4-2-10)20-15-5-6-15/h1-4,7-9,15H,5-6,18H2
InChIKeyIITGDBPAHMTCTE-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.69
Rot. Bonds4

About (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone

(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 114520685) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID114520685
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESNc1cc(Cl)cc(C(=O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C16H14ClNO2/c17-12-7-11(8-13(18)9-12)16(19)10-1-3-14(4-2-10)20-15-5-6-15/h1-4,7-9,15H,5-6,18H2
InChIKeyIITGDBPAHMTCTE-UHFFFAOYSA-N
XLogP3.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone (CID 114520685) is (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone is Nc1cc(Cl)cc(C(=O)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is IITGDBPAHMTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-12-7-11(8-13(18)9-12)16(19)10-1-3-14(4-2-10)20-15-5-6-15/h1-4,7-9,15H,5-6,18H2.
What are the key properties of (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114520685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).