(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone

C17H18ClNO3 — CID 82268169

IUPAC(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
SMILESCCOc1cc(Cl)c(C(=O)c2ccc(N)cc2)cc1OCC
InChIInChI=1S/C17H18ClNO3/c1-3-21-15-9-13(14(18)10-16(15)22-4-2)17(20)11-5-7-12(19)8-6-11/h5-10H,3-4,19H2,1-2H3
InChIKeyKNMAXZDVDKMVPJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.95
Rot. Bonds6

About (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone

(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone (PubChem CID 82268169) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
PubChem CID82268169
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
SMILESCCOc1cc(Cl)c(C(=O)c2ccc(N)cc2)cc1OCC
InChIInChI=1S/C17H18ClNO3/c1-3-21-15-9-13(14(18)10-16(15)22-4-2)17(20)11-5-7-12(19)8-6-11/h5-10H,3-4,19H2,1-2H3
InChIKeyKNMAXZDVDKMVPJ-UHFFFAOYSA-N
XLogP3.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
2-chloro-4,5-diethoxybenzamide
CID 82268164
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
CID 43340747
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240
(3-bromo-5-chlorophenyl)-(2,5-dichloro-4-ethoxyphenyl)methanone
CID 107950013
bis(3,4-diethoxyphenyl)methanone
CID 135325793

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone (CID 82268169) is (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone is CCOc1cc(Cl)c(C(=O)c2ccc(N)cc2)cc1OCC.
What is the InChIKey of (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone?
The InChIKey is KNMAXZDVDKMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-3-21-15-9-13(14(18)10-16(15)22-4-2)17(20)11-5-7-12(19)8-6-11/h5-10H,3-4,19H2,1-2H3.
What are the key properties of (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone?
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone has a molecular weight of 319.79 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone is sourced from PubChem (CID 82268169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).