2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide

C16H14Cl2N4O5 — CID 10501862

IUPAC2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO
InChIInChI=1S/C16H14Cl2N4O5/c17-13-6-3-11(7-14(13)18)19-16(24)21(9-15(23)20-25)8-10-1-4-12(5-2-10)22(26)27/h1-7,25H,8-9H2,(H,19,24)(H,20,23)
InChIKeyPCQHVURJJBFBQG-UHFFFAOYSA-N
MW413.22 g/mol
LogP3.44
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide

2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (PubChem CID 10501862) has the molecular formula C16H14Cl2N4O5 and a molecular weight of 413.22 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
PubChem CID10501862
Molecular FormulaC16H14Cl2N4O5
Molecular Weight413.22 g/mol
Exact Mass412.03
IUPAC Name2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO
InChIInChI=1S/C16H14Cl2N4O5/c17-13-6-3-11(7-14(13)18)19-16(24)21(9-15(23)20-25)8-10-1-4-12(5-2-10)22(26)27/h1-7,25H,8-9H2,(H,19,24)(H,20,23)
InChIKeyPCQHVURJJBFBQG-UHFFFAOYSA-N
XLogP3.44
TPSA124.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (CID 10501862) is 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The InChIKey is PCQHVURJJBFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O5/c17-13-6-3-11(7-14(13)18)19-16(24)21(9-15(23)20-25)8-10-1-4-12(5-2-10)22(26)27/h1-7,25H,8-9H2,(H,19,24)(H,20,23).
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide has a molecular weight of 413.22 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 10501862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).