1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea

C15H22Cl2N4O3 — CID 87928774

IUPAC1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea
SMILESCCCCCC(CNO)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N4O3/c1-2-3-4-5-10(9-18-24)14(22)20-21-15(23)19-11-6-7-12(16)13(17)8-11/h6-8,10,18,24H,2-5,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyDOUAVCIFVKAUMA-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.32
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea

1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea (PubChem CID 87928774) has the molecular formula C15H22Cl2N4O3 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea
PubChem CID87928774
Molecular FormulaC15H22Cl2N4O3
Molecular Weight377.27 g/mol
Exact Mass376.11
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea
SMILESCCCCCC(CNO)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N4O3/c1-2-3-4-5-10(9-18-24)14(22)20-21-15(23)19-11-6-7-12(16)13(17)8-11/h6-8,10,18,24H,2-5,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyDOUAVCIFVKAUMA-UHFFFAOYSA-N
XLogP3.32
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10111888
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 80697374
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 19187559
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
CID 150273254
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-decyl-3-(3,4-dichlorophenyl)thiourea
CID 19651195
1-[5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]-2-ethylphenyl]-3-(3,4-dichlorophenyl)urea
CID 171980838
5-[(3,4-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82854342

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea (CID 87928774) is 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea is CCCCCC(CNO)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea?
The InChIKey is DOUAVCIFVKAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N4O3/c1-2-3-4-5-10(9-18-24)14(22)20-21-15(23)19-11-6-7-12(16)13(17)8-11/h6-8,10,18,24H,2-5,9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea?
1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea has a molecular weight of 377.27 g/mol, XLogP of 3.32, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[(hydroxyamino)methyl]heptanoylamino]urea is sourced from PubChem (CID 87928774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).