5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide

C20H24ClNO3 — CID 100529695

IUPAC5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24ClNO3/c1-14(2)25-17-8-4-6-15(12-17)7-5-11-22-20(23)18-13-16(21)9-10-19(18)24-3/h4,6,8-10,12-14H,5,7,11H2,1-3H3,(H,22,23)
InChIKeyXMERFAOLIBHIES-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.50
Rot. Bonds8

About 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide

5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide (PubChem CID 100529695) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
PubChem CID100529695
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24ClNO3/c1-14(2)25-17-8-4-6-15(12-17)7-5-11-22-20(23)18-13-16(21)9-10-19(18)24-3/h4,6,8-10,12-14H,5,7,11H2,1-3H3,(H,22,23)
InChIKeyXMERFAOLIBHIES-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
CID 100715842
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
CID 100529406
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
3-(2,6-dichlorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100603157
methyl 2-chloro-5-[3-(3-propan-2-yloxyphenyl)propylcarbamothioylamino]benzoate
CID 100680536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide (CID 100529695) is 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCCc1cccc(OC(C)C)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide?
The InChIKey is XMERFAOLIBHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-14(2)25-17-8-4-6-15(12-17)7-5-11-22-20(23)18-13-16(21)9-10-19(18)24-3/h4,6,8-10,12-14H,5,7,11H2,1-3H3,(H,22,23).
What are the key properties of 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide?
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide has a molecular weight of 361.87 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide is sourced from PubChem (CID 100529695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).