2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide

C14H20ClNO2 — CID 112501859

IUPAC2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
SMILESCC(C)CCOc1cccc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(2)7-8-18-13-6-4-5-12(9-13)16-14(17)11(3)15/h4-6,9-11H,7-8H2,1-3H3,(H,16,17)
InChIKeyUWBDHRHYIVAIBV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.68
Rot. Bonds6

About 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide

2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide (PubChem CID 112501859) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
PubChem CID112501859
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
SMILESCC(C)CCOc1cccc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(2)7-8-18-13-6-4-5-12(9-13)16-14(17)11(3)15/h4-6,9-11H,7-8H2,1-3H3,(H,16,17)
InChIKeyUWBDHRHYIVAIBV-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.68
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

3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
CID 111336903
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide (CID 112501859) is 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide is CC(C)CCOc1cccc(NC(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide?
The InChIKey is UWBDHRHYIVAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)7-8-18-13-6-4-5-12(9-13)16-14(17)11(3)15/h4-6,9-11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide?
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide has a molecular weight of 269.77 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide is sourced from PubChem (CID 112501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).