3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide

C14H17Cl2NO3 — CID 111662976

IUPAC3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
SMILESO=C(NCC(O)COCC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO3/c15-11-3-10(4-12(16)5-11)14(19)17-6-13(18)8-20-7-9-1-2-9/h3-5,9,13,18H,1-2,6-8H2,(H,17,19)
InChIKeyALATZSUXYGBAJE-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.51
Rot. Bonds7

About 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide

3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide (PubChem CID 111662976) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
PubChem CID111662976
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
SMILESO=C(NCC(O)COCC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO3/c15-11-3-10(4-12(16)5-11)14(19)17-6-13(18)8-20-7-9-1-2-9/h3-5,9,13,18H,1-2,6-8H2,(H,17,19)
InChIKeyALATZSUXYGBAJE-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697759
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 111697870
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
CID 111662958

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide (CID 111662976) is 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide is O=C(NCC(O)COCC1CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide?
The InChIKey is ALATZSUXYGBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c15-11-3-10(4-12(16)5-11)14(19)17-6-13(18)8-20-7-9-1-2-9/h3-5,9,13,18H,1-2,6-8H2,(H,17,19).
What are the key properties of 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide?
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide has a molecular weight of 318.20 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 111662976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).