2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide

C15H17ClN2O2 — CID 115953715

IUPAC2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C15H17ClN2O2/c1-2-8-17-14(19)10-20-15-11(4-3-5-13(15)16)9-18-12-6-7-12/h1,3-5,12,18H,6-10H2,(H,17,19)
InChIKeyPVQGACJXMGWGRK-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.72
Rot. Bonds7

About 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide

2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide (PubChem CID 115953715) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
PubChem CID115953715
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C15H17ClN2O2/c1-2-8-17-14(19)10-20-15-11(4-3-5-13(15)16)9-18-12-6-7-12/h1,3-5,12,18H,6-10H2,(H,17,19)
InChIKeyPVQGACJXMGWGRK-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
CID 112609951
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60877796
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
CID 122142322
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60883292
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide (CID 115953715) is 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1c(Cl)cccc1CNC1CC1.
What is the InChIKey of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is PVQGACJXMGWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-8-17-14(19)10-20-15-11(4-3-5-13(15)16)9-18-12-6-7-12/h1,3-5,12,18H,6-10H2,(H,17,19).
What are the key properties of 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 292.77 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 115953715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).