N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide

C15H16ClN3O5 — CID 22860862

IUPACN-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide
SMILESC[C@H](CN(O)C(N)=O)NC(=O)c1ccc(Oc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClN3O5/c1-9(8-19(22)15(17)21)18-14(20)12-6-7-13(24-12)23-11-4-2-10(16)3-5-11/h2-7,9,22H,8H2,1H3,(H2,17,21)(H,18,20)/t9-/m1/s1
InChIKeySUNYKWPOAYWNTD-SECBINFHSA-N
MW353.76 g/mol
LogP2.61
Rot. Bonds6

About N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide

N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide (PubChem CID 22860862) has the molecular formula C15H16ClN3O5 and a molecular weight of 353.76 g/mol. Its IUPAC name is N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide
PubChem CID22860862
Molecular FormulaC15H16ClN3O5
Molecular Weight353.76 g/mol
Exact Mass353.08
IUPAC NameN-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide
SMILESC[C@H](CN(O)C(N)=O)NC(=O)c1ccc(Oc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClN3O5/c1-9(8-19(22)15(17)21)18-14(20)12-6-7-13(24-12)23-11-4-2-10(16)3-5-11/h2-7,9,22H,8H2,1H3,(H2,17,21)(H,18,20)/t9-/m1/s1
InChIKeySUNYKWPOAYWNTD-SECBINFHSA-N
XLogP2.61
TPSA118.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide (CID 22860862) is N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide is C[C@H](CN(O)C(N)=O)NC(=O)c1ccc(Oc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide?
The InChIKey is SUNYKWPOAYWNTD-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClN3O5/c1-9(8-19(22)15(17)21)18-14(20)12-6-7-13(24-12)23-11-4-2-10(16)3-5-11/h2-7,9,22H,8H2,1H3,(H2,17,21)(H,18,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide?
N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide has a molecular weight of 353.76 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[carbamoyl(hydroxy)amino]propan-2-yl]-5-(4-chlorophenoxy)furan-2-carboxamide is sourced from PubChem (CID 22860862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).