N-(4-chloropentyl)-3-propan-2-yloxybenzamide

C15H22ClNO2 — CID 106130049

IUPACN-(4-chloropentyl)-3-propan-2-yloxybenzamide
SMILESCC(Cl)CCCNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)19-14-8-4-7-13(10-14)15(18)17-9-5-6-12(3)16/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,17,18)
InChIKeyDCLLZMSLSOEBAT-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.61
Rot. Bonds7

About N-(4-chloropentyl)-3-propan-2-yloxybenzamide

N-(4-chloropentyl)-3-propan-2-yloxybenzamide (PubChem CID 106130049) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(4-chloropentyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-3-propan-2-yloxybenzamide
PubChem CID106130049
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(4-chloropentyl)-3-propan-2-yloxybenzamide
SMILESCC(Cl)CCCNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H22ClNO2/c1-11(2)19-14-8-4-7-13(10-14)15(18)17-9-5-6-12(3)16/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,17,18)
InChIKeyDCLLZMSLSOEBAT-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
N-hex-5-ynyl-3-propan-2-yloxybenzamide
CID 114158546
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
CID 106140510
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(4-chloropentyl)-3-propan-2-yloxybenzamide (CID 106130049) is N-(4-chloropentyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-chloropentyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-chloropentyl)-3-propan-2-yloxybenzamide is CC(Cl)CCCNC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(4-chloropentyl)-3-propan-2-yloxybenzamide?
The InChIKey is DCLLZMSLSOEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)19-14-8-4-7-13(10-14)15(18)17-9-5-6-12(3)16/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,17,18).
What are the key properties of N-(4-chloropentyl)-3-propan-2-yloxybenzamide?
N-(4-chloropentyl)-3-propan-2-yloxybenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 106130049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).