2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide

C17H25ClN4O — CID 110958235

IUPAC2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
SMILESC/N=C(\NCCNC(=O)c1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C17H25ClN4O/c1-19-17(22-13-7-3-2-4-8-13)21-12-11-20-16(23)14-9-5-6-10-15(14)18/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,23)(H2,19,21,22)
InChIKeyHYHVUGZESIEBNW-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.57
Rot. Bonds5

About 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide

2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide (PubChem CID 110958235) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
PubChem CID110958235
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
SMILESC/N=C(\NCCNC(=O)c1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C17H25ClN4O/c1-19-17(22-13-7-3-2-4-8-13)21-12-11-20-16(23)14-9-5-6-10-15(14)18/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,23)(H2,19,21,22)
InChIKeyHYHVUGZESIEBNW-UHFFFAOYSA-N
XLogP2.57
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.57
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

2-chloro-N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
CID 110934653
2-chloro-N-[2-[[N-(1,1-dioxothiolan-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111141285
2-chloro-N-[2-[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 109438257
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-[2-[[N'-methyl-N-[1-(4-methylphenyl)pyrrolidin-3-yl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111923312
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
4-bromo-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 110959290
2-chloro-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005736
N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110990591
2-chloro-N-[2-[[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111417417
2-chloro-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111386582
2-chloro-N-[2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 110981620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide (CID 110958235) is 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide is C/N=C(\NCCNC(=O)c1ccccc1Cl)NC1CCCCC1.
What is the InChIKey of 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide?
The InChIKey is HYHVUGZESIEBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-19-17(22-13-7-3-2-4-8-13)21-12-11-20-16(23)14-9-5-6-10-15(14)18/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide has a molecular weight of 336.87 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide is sourced from PubChem (CID 110958235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).