1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone

C15H14ClNO2 — CID 83987969

IUPAC1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
SMILESCOc1cc(C(=O)Cc2ccccc2)c(N)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-19-15-8-11(13(17)9-12(15)16)14(18)7-10-5-3-2-4-6-10/h2-6,8-9H,7,17H2,1H3
InChIKeyLZSUBFDIEVURJX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone

1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone (PubChem CID 83987969) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
PubChem CID83987969
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
SMILESCOc1cc(C(=O)Cc2ccccc2)c(N)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-19-15-8-11(13(17)9-12(15)16)14(18)7-10-5-3-2-4-6-10/h2-6,8-9H,7,17H2,1H3
InChIKeyLZSUBFDIEVURJX-UHFFFAOYSA-N
XLogP3.36
TPSA52.32 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 ≤ 53.36
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

1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide
CID 21291495
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-(6-amino-1,3-benzodioxol-5-yl)-2-phenylethanone
CID 11608549
1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone (CID 83987969) is 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone is COc1cc(C(=O)Cc2ccccc2)c(N)cc1Cl.
What is the InChIKey of 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone?
The InChIKey is LZSUBFDIEVURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-15-8-11(13(17)9-12(15)16)14(18)7-10-5-3-2-4-6-10/h2-6,8-9H,7,17H2,1H3.
What are the key properties of 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone?
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone has a molecular weight of 275.74 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 83987969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).