1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone

C17H18ClNO2 — CID 110453014

IUPAC1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone
SMILESCOc1ccc(C(C)Nc2cc(Cl)cc(C(C)=O)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-11(13-4-6-17(21-3)7-5-13)19-16-9-14(12(2)20)8-15(18)10-16/h4-11,19H,1-3H3
InChIKeyBMZRIHTUKKDJRV-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.72
Rot. Bonds5

About 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone

1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone (PubChem CID 110453014) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone
PubChem CID110453014
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone
SMILESCOc1ccc(C(C)Nc2cc(Cl)cc(C(C)=O)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-11(13-4-6-17(21-3)7-5-13)19-16-9-14(12(2)20)8-15(18)10-16/h4-11,19H,1-3H3
InChIKeyBMZRIHTUKKDJRV-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
4-fluoro-3-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43728187
2-bromo-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 107282164
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone (CID 110453014) is 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone is COc1ccc(C(C)Nc2cc(Cl)cc(C(C)=O)c2)cc1.
What is the InChIKey of 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
The InChIKey is BMZRIHTUKKDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(13-4-6-17(21-3)7-5-13)19-16-9-14(12(2)20)8-15(18)10-16/h4-11,19H,1-3H3.
What are the key properties of 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone has a molecular weight of 303.79 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 110453014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).