(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone

C14H12ClNO2 — CID 116602267

IUPAC(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2Cl)c(N)c1
InChIInChI=1S/C14H12ClNO2/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3
InChIKeyXXYZPJSIINVMAR-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.16
Rot. Bonds3

About (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone

(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone (PubChem CID 116602267) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
PubChem CID116602267
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2Cl)c(N)c1
InChIInChI=1S/C14H12ClNO2/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3
InChIKeyXXYZPJSIINVMAR-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.16
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-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
CID 134907446
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(2-amino-4-methoxyphenyl)-pyrimidin-5-ylmethanone
CID 116602325

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone (CID 116602267) is (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone is COc1ccc(C(=O)c2ccccc2Cl)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone?
The InChIKey is XXYZPJSIINVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone?
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone has a molecular weight of 261.71 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 116602267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).