N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide

C17H24Cl2N4O — CID 111720369

IUPACN-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/N=C(/NCCCc1ccc(Cl)cc1Cl)NCCNC(=O)C1CC1
InChIInChI=1S/C17H24Cl2N4O/c1-20-17(23-10-9-21-16(24)13-4-5-13)22-8-2-3-12-6-7-14(18)11-15(12)19/h6-7,11,13H,2-5,8-10H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyDXAHJRPTRGCVSH-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.62
Rot. Bonds8

About N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111720369) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID111720369
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC NameN-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/N=C(/NCCCc1ccc(Cl)cc1Cl)NCCNC(=O)C1CC1
InChIInChI=1S/C17H24Cl2N4O/c1-20-17(23-10-9-21-16(24)13-4-5-13)22-8-2-3-12-6-7-14(18)11-15(12)19/h6-7,11,13H,2-5,8-10H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyDXAHJRPTRGCVSH-UHFFFAOYSA-N
XLogP2.62
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
N-[2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111197929
methyl 5-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]pentanoate;hydroiodide
CID 111720533
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149558
3-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111720307
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
1-[3-(2,4-dichlorophenyl)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111720487
2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111720464
methyl 3-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111720254
N-[2-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111902137
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
4-[[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111720553

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide (CID 111720369) is N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide is C/N=C(/NCCCc1ccc(Cl)cc1Cl)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is DXAHJRPTRGCVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N4O/c1-20-17(23-10-9-21-16(24)13-4-5-13)22-8-2-3-12-6-7-14(18)11-15(12)19/h6-7,11,13H,2-5,8-10H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 371.31 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111720369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).