N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide

C18H19ClN2O3 — CID 31364839

IUPACN-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)NCCNC(=O)C1CC1
InChIInChI=1S/C18H19ClN2O3/c19-15-7-8-16(14-4-2-1-3-13(14)15)24-11-17(22)20-9-10-21-18(23)12-5-6-12/h1-4,7-8,12H,5-6,9-11H2,(H,20,22)(H,21,23)
InChIKeyOGODDUDNMXVUMH-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.51
Rot. Bonds7

About N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 31364839) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID31364839
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)NCCNC(=O)C1CC1
InChIInChI=1S/C18H19ClN2O3/c19-15-7-8-16(14-4-2-1-3-13(14)15)24-11-17(22)20-9-10-21-18(23)12-5-6-12/h1-4,7-8,12H,5-6,9-11H2,(H,20,22)(H,21,23)
InChIKeyOGODDUDNMXVUMH-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8021473
2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 95350250
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide (CID 31364839) is N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide is O=C(COc1ccc(Cl)c2ccccc12)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is OGODDUDNMXVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-15-7-8-16(14-4-2-1-3-13(14)15)24-11-17(22)20-9-10-21-18(23)12-5-6-12/h1-4,7-8,12H,5-6,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 346.81 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 31364839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).