4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide

C13H16ClNO3 — CID 106909816

IUPAC4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H16ClNO3/c14-7-1-2-12(16)15-11-5-3-10(4-6-11)13-17-8-9-18-13/h3-6,13H,1-2,7-9H2,(H,15,16)
InChIKeyOLFSUNJJQCGFPV-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.69
Rot. Bonds5

About 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide

4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide (PubChem CID 106909816) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
PubChem CID106909816
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H16ClNO3/c14-7-1-2-12(16)15-11-5-3-10(4-6-11)13-17-8-9-18-13/h3-6,13H,1-2,7-9H2,(H,15,16)
InChIKeyOLFSUNJJQCGFPV-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylacetamide
CID 110732815
2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
CID 106911779
3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911810
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110732832
4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 63307637
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide (CID 106909816) is 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide is O=C(CCCCl)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
The InChIKey is OLFSUNJJQCGFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-7-1-2-12(16)15-11-5-3-10(4-6-11)13-17-8-9-18-13/h3-6,13H,1-2,7-9H2,(H,15,16).
What are the key properties of 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide has a molecular weight of 269.73 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide is sourced from PubChem (CID 106909816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).