4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide

C12H14Cl2N2O2 — CID 115293616

IUPAC4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2cccc(Cl)c2Cl)CCOCC1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-2-1-3-9(10(8)14)16-11(17)12(15)4-6-18-7-5-12/h1-3H,4-7,15H2,(H,16,17)
InChIKeyNOWZOEGKOSLSQV-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.44
Rot. Bonds2

About 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide

4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide (PubChem CID 115293616) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
PubChem CID115293616
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2cccc(Cl)c2Cl)CCOCC1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-2-1-3-9(10(8)14)16-11(17)12(15)4-6-18-7-5-12/h1-3H,4-7,15H2,(H,16,17)
InChIKeyNOWZOEGKOSLSQV-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
3-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115293785
4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
CID 115293838
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 64893352
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide (CID 115293616) is 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide is NC1(C(=O)Nc2cccc(Cl)c2Cl)CCOCC1.
What is the InChIKey of 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide?
The InChIKey is NOWZOEGKOSLSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-8-2-1-3-9(10(8)14)16-11(17)12(15)4-6-18-7-5-12/h1-3H,4-7,15H2,(H,16,17).
What are the key properties of 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide?
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115293616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).