3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide

C15H22ClNO4 — CID 71848078

IUPAC3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCC(O)CC)cc1OC
InChIInChI=1S/C15H22ClNO4/c1-4-11(18)6-7-17-15(19)10-8-12(16)14(21-5-2)13(9-10)20-3/h8-9,11,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyBTJQXMCCSQFKKM-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.64
Rot. Bonds8

About 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide

3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide (PubChem CID 71848078) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
PubChem CID71848078
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCC(O)CC)cc1OC
InChIInChI=1S/C15H22ClNO4/c1-4-11(18)6-7-17-15(19)10-8-12(16)14(21-5-2)13(9-10)20-3/h8-9,11,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyBTJQXMCCSQFKKM-UHFFFAOYSA-N
XLogP2.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide (CID 71848078) is 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCCC(O)CC)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide?
The InChIKey is BTJQXMCCSQFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4/c1-4-11(18)6-7-17-15(19)10-8-12(16)14(21-5-2)13(9-10)20-3/h8-9,11,18H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide?
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide has a molecular weight of 315.80 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide is sourced from PubChem (CID 71848078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).