[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone

C17H18ClNO3 — CID 138706407

IUPAC[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C17H18ClNO3/c18-15-5-1-13(2-6-15)17(22)14-3-7-16(8-4-14)19(9-11-20)10-12-21/h1-8,20-21H,9-12H2
InChIKeySFIUIYSRIVXHLU-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.36
Rot. Bonds7

About [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone

[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone (PubChem CID 138706407) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone
PubChem CID138706407
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C17H18ClNO3/c18-15-5-1-13(2-6-15)17(22)14-3-7-16(8-4-14)19(9-11-20)10-12-21/h1-8,20-21H,9-12H2
InChIKeySFIUIYSRIVXHLU-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone
CID 21325578
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
[4-[bis(2-hydroxyethyl)amino]phenyl]-phenylmethanone;(4-fluorophenyl)-phenylmethanone;2-(2-hydroxyethylamino)ethanol
CID 160919172
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69093819
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
N-(4-chlorophenyl)-2-fluoro-N-(2-hydroxyethyl)acetamide
CID 24789
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone
CID 110168264
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815

Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone (CID 138706407) is [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1.
What is the InChIKey of [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is SFIUIYSRIVXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-15-5-1-13(2-6-15)17(22)14-3-7-16(8-4-14)19(9-11-20)10-12-21/h1-8,20-21H,9-12H2.
What are the key properties of [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone?
[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 319.79 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 138706407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).