N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide

C16H22Cl2N4O4 — CID 10111888

IUPACN-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N4O4/c1-2-3-4-5-11(9-22(26)10-23)15(24)20-21-16(25)19-12-6-7-13(17)14(18)8-12/h6-8,10-11,26H,2-5,9H2,1H3,(H,20,24)(H2,19,21,25)
InChIKeyMNAXDSNYGVLYBJ-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.19
Rot. Bonds9

About N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 10111888) has the molecular formula C16H22Cl2N4O4 and a molecular weight of 405.28 g/mol. Its IUPAC name is N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID10111888
Molecular FormulaC16H22Cl2N4O4
Molecular Weight405.28 g/mol
Exact Mass404.10
IUPAC NameN-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N4O4/c1-2-3-4-5-11(9-22(26)10-23)15(24)20-21-16(25)19-12-6-7-13(17)14(18)8-12/h6-8,10-11,26H,2-5,9H2,1H3,(H,20,24)(H2,19,21,25)
InChIKeyMNAXDSNYGVLYBJ-UHFFFAOYSA-N
XLogP3.19
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea
CID 87928774
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 21019696
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
CID 87264455
N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
CID 121282105
N-hydroxy-N-[(2R)-2-[(9H-pyrido[3,4-b]indole-3-carbonylamino)carbamoyl]heptyl]formamide
CID 87928335
N-hydroxy-N-[(2R)-2-[[(6-pyrrol-1-ylpyridazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 10316477
N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 87264686

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide (CID 10111888) is N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is MNAXDSNYGVLYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N4O4/c1-2-3-4-5-11(9-22(26)10-23)15(24)20-21-16(25)19-12-6-7-13(17)14(18)8-12/h6-8,10-11,26H,2-5,9H2,1H3,(H,20,24)(H2,19,21,25).
What are the key properties of N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 405.28 g/mol, XLogP of 3.19, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 10111888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).