4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide

C18H21ClN2O2 — CID 18628146

IUPAC4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
SMILESCC(Cc1ccc(C(N)=O)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-12(9-13-5-7-14(8-6-13)18(20)23)21-11-17(22)15-3-2-4-16(19)10-15/h2-8,10,12,17,21-22H,9,11H2,1H3,(H2,20,23)
InChIKeyXMTVDHUBNIUJDQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.69
Rot. Bonds7

About 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide

4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide (PubChem CID 18628146) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
PubChem CID18628146
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
SMILESCC(Cc1ccc(C(N)=O)cc1)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-12(9-13-5-7-14(8-6-13)18(20)23)21-11-17(22)15-3-2-4-16(19)10-15/h2-8,10,12,17,21-22H,9,11H2,1H3,(H2,20,23)
InChIKeyXMTVDHUBNIUJDQ-UHFFFAOYSA-N
XLogP2.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
(E)-3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]prop-2-enamide
CID 88735044
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]pentanoate
CID 139655941
methyl 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]benzoate;hydrochloride
CID 44522674
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
CID 67671664
[2-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]methyl]phenyl] ethyl carbonate
CID 67847911

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide?
The IUPAC name of 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide (CID 18628146) is 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide.
What is the SMILES notation for 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide?
The canonical SMILES for 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide is CC(Cc1ccc(C(N)=O)cc1)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide?
The InChIKey is XMTVDHUBNIUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(9-13-5-7-14(8-6-13)18(20)23)21-11-17(22)15-3-2-4-16(19)10-15/h2-8,10,12,17,21-22H,9,11H2,1H3,(H2,20,23).
What are the key properties of 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide?
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide has a molecular weight of 332.83 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide is sourced from PubChem (CID 18628146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).