3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide

C15H20ClNO3 — CID 143134875

IUPAC3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
SMILESCC(=O)CCCNC(=O)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(2)20-14-7-6-12(9-13(14)16)15(19)17-8-4-5-11(3)18/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyDLNYJHGJQXLHNR-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.23
Rot. Bonds7

About 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide

3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide (PubChem CID 143134875) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
PubChem CID143134875
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide
SMILESCC(=O)CCCNC(=O)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(2)20-14-7-6-12(9-13(14)16)15(19)17-8-4-5-11(3)18/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyDLNYJHGJQXLHNR-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.23
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

3-chloro-N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzamide
CID 110762419
3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide;ethane;(Z)-2-ethyl-N-[(Z)-1-(4-methylphenyl)prop-1-enyl]hept-5-en-1-imine
CID 143134874
acetonitrile;2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]acetic acid;ethane
CID 143134888
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 110762427
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
3-chloro-N-(3-hydroxypropyl)-4-propan-2-yloxybenzamide;ethane;1-[methyl-[(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenyl]amino]propan-2-one
CID 143461416
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide (CID 143134875) is 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide is CC(=O)CCCNC(=O)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide?
The InChIKey is DLNYJHGJQXLHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(2)20-14-7-6-12(9-13(14)16)15(19)17-8-4-5-11(3)18/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide?
3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-oxopentyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 143134875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).