(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate

C16H16ClNO3 — CID 63221701

IUPAC(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(NCCO)cc1
InChIInChI=1S/C16H16ClNO3/c17-14-5-1-12(2-6-14)11-21-16(20)13-3-7-15(8-4-13)18-9-10-19/h1-8,18-19H,9-11H2
InChIKeyKJLWYWVOXKQRJM-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.10
Rot. Bonds6

About (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate

(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate (PubChem CID 63221701) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
PubChem CID63221701
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(NCCO)cc1
InChIInChI=1S/C16H16ClNO3/c17-14-5-1-12(2-6-14)11-21-16(20)13-3-7-15(8-4-13)18-9-10-19/h1-8,18-19H,9-11H2
InChIKeyKJLWYWVOXKQRJM-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
CID 20516641
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569
ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
CID 102979001
(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204282
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
(4-bromophenyl)methyl 4-(methylamino)benzoate
CID 104698988

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate?
The IUPAC name of (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate (CID 63221701) is (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate?
The canonical SMILES for (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate is O=C(OCc1ccc(Cl)cc1)c1ccc(NCCO)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate?
The InChIKey is KJLWYWVOXKQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-5-1-12(2-6-14)11-21-16(20)13-3-7-15(8-4-13)18-9-10-19/h1-8,18-19H,9-11H2.
What are the key properties of (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate?
(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate has a molecular weight of 305.76 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 63221701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).