2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C14H18ClNO3 — CID 80717682

IUPAC2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCC1(CO)CC1
InChIInChI=1S/C14H18ClNO3/c1-10(19-12-4-2-11(15)3-5-12)13(18)16-8-14(9-17)6-7-14/h2-5,10,17H,6-9H2,1H3,(H,16,18)
InChIKeyNJNCEKZDHNBILE-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.00
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 80717682) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID80717682
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCC1(CO)CC1
InChIInChI=1S/C14H18ClNO3/c1-10(19-12-4-2-11(15)3-5-12)13(18)16-8-14(9-17)6-7-14/h2-5,10,17H,6-9H2,1H3,(H,16,18)
InChIKeyNJNCEKZDHNBILE-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449352
2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716354
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751607
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 80717682) is 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCC1(CO)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is NJNCEKZDHNBILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(19-12-4-2-11(15)3-5-12)13(18)16-8-14(9-17)6-7-14/h2-5,10,17H,6-9H2,1H3,(H,16,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 283.75 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 80717682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).