3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide

C15H23ClN2O3 — CID 14853026

IUPAC3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
SMILESCCNC(=O)c1ccc(OCC(O)CNC(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-4-17-15(20)11-5-6-14(13(16)7-11)21-9-12(19)8-18-10(2)3/h5-7,10,12,18-19H,4,8-9H2,1-3H3,(H,17,20)
InChIKeyUSIGOHXMLFTFKJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.83
Rot. Bonds8

About 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide

3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide (PubChem CID 14853026) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
PubChem CID14853026
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
SMILESCCNC(=O)c1ccc(OCC(O)CNC(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-4-17-15(20)11-5-6-14(13(16)7-11)21-9-12(19)8-18-10(2)3/h5-7,10,12,18-19H,4,8-9H2,1-3H3,(H,17,20)
InChIKeyUSIGOHXMLFTFKJ-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853127
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676
2-[[3-chloro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]butanoic acid
CID 70494692
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
N-benzyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-chlorobenzamide
CID 14853073
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
N-hexyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylbenzamide
CID 14853059
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
CID 112512675

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
The IUPAC name of 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide (CID 14853026) is 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide is CCNC(=O)c1ccc(OCC(O)CNC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
The InChIKey is USIGOHXMLFTFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-17-15(20)11-5-6-14(13(16)7-11)21-9-12(19)8-18-10(2)3/h5-7,10,12,18-19H,4,8-9H2,1-3H3,(H,17,20).
What are the key properties of 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide has a molecular weight of 314.81 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide is sourced from PubChem (CID 14853026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).