3-(3-chlorophenoxy)propanamide

C9H10ClNO2 — CID 23512799

IUPAC3-(3-chlorophenoxy)propanamide
SMILESNC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyPXBTYWAVCAPVLD-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.59
Rot. Bonds4

About 3-(3-chlorophenoxy)propanamide

3-(3-chlorophenoxy)propanamide (PubChem CID 23512799) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)propanamide
PubChem CID23512799
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name3-(3-chlorophenoxy)propanamide
SMILESNC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyPXBTYWAVCAPVLD-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 131885829
CID 131885829
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
2-amino-4-(3-chlorophenoxy)butanamide
CID 174561608
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
benzyl 4-(3-chlorophenoxy)-2-oxobutanoate
CID 134392581
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
2-(3-chlorophenoxy)ethyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092671
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
3-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-one
CID 70414079
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)propanamide (CID 23512799) is 3-(3-chlorophenoxy)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)propanamide is NC(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)propanamide?
The InChIKey is PXBTYWAVCAPVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H2,11,12).
What are the key properties of 3-(3-chlorophenoxy)propanamide?
3-(3-chlorophenoxy)propanamide has a molecular weight of 199.64 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 23512799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).