4-chloro-N-(4-propan-2-yloxyphenyl)butanamide

C13H18ClNO2 — CID 17161001

IUPAC4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(2)17-12-7-5-11(6-8-12)15-13(16)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyJQIMBAHYNDIQPK-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.43
Rot. Bonds6

About 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide

4-chloro-N-(4-propan-2-yloxyphenyl)butanamide (PubChem CID 17161001) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
PubChem CID17161001
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(2)17-12-7-5-11(6-8-12)15-13(16)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyJQIMBAHYNDIQPK-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
CID 112516837
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide (CID 17161001) is 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide is CC(C)Oc1ccc(NC(=O)CCCCl)cc1.
What is the InChIKey of 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide?
The InChIKey is JQIMBAHYNDIQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(2)17-12-7-5-11(6-8-12)15-13(16)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide?
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide has a molecular weight of 255.75 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 17161001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).