(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone

C15H14ClNO2 — CID 134907446

IUPAC(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(OC)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-17-14-8-7-10(19-2)9-12(14)15(18)11-5-3-4-6-13(11)16/h3-9,17H,1-2H3
InChIKeyROOAFRYTCHXQLB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.62
Rot. Bonds4

About (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone

(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone (PubChem CID 134907446) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
PubChem CID134907446
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(OC)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-17-14-8-7-10(19-2)9-12(14)15(18)11-5-3-4-6-13(11)16/h3-9,17H,1-2H3
InChIKeyROOAFRYTCHXQLB-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
5-methoxy-2-(methylamino)benzamide
CID 66991664
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone (CID 134907446) is (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone is CNc1ccc(OC)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone?
The InChIKey is ROOAFRYTCHXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-17-14-8-7-10(19-2)9-12(14)15(18)11-5-3-4-6-13(11)16/h3-9,17H,1-2H3.
What are the key properties of (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone?
(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone has a molecular weight of 275.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 134907446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).