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

C16H23ClN2O3 — CID 14853127

IUPAC3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
SMILESCC(C)NCC(O)COc1ccc(C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-10(2)18-8-13(20)9-22-15-6-3-11(7-14(15)17)16(21)19-12-4-5-12/h3,6-7,10,12-13,18,20H,4-5,8-9H2,1-2H3,(H,19,21)
InChIKeyUENJBIYXWXKPSN-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.97
Rot. Bonds8

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

3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide (PubChem CID 14853127) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
PubChem CID14853127
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
SMILESCC(C)NCC(O)COc1ccc(C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-10(2)18-8-13(20)9-22-15-6-3-11(7-14(15)17)16(21)19-12-4-5-12/h3,6-7,10,12-13,18,20H,4-5,8-9H2,1-2H3,(H,19,21)
InChIKeyUENJBIYXWXKPSN-UHFFFAOYSA-N
XLogP1.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
CID 14853026
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
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
CID 97271666
2-[[3-chloro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]butanoic acid
CID 70494692
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide (CID 14853127) is 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide is CC(C)NCC(O)COc1ccc(C(=O)NC2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
The InChIKey is UENJBIYXWXKPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-10(2)18-8-13(20)9-22-15-6-3-11(7-14(15)17)16(21)19-12-4-5-12/h3,6-7,10,12-13,18,20H,4-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide?
3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide has a molecular weight of 326.82 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide is sourced from PubChem (CID 14853127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).