2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide

C18H24ClN3O2 — CID 54818353

IUPAC2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H24ClN3O2/c1-2-10-20-12-17(23)21-14-8-9-16(19)15(11-14)18(24)22-13-6-4-3-5-7-13/h2,8-9,11,13,20H,1,3-7,10,12H2,(H,21,23)(H,22,24)
InChIKeyYTCHTIJQPDUWBE-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.12
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide (PubChem CID 54818353) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
PubChem CID54818353
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H24ClN3O2/c1-2-10-20-12-17(23)21-14-8-9-16(19)15(11-14)18(24)22-13-6-4-3-5-7-13/h2,8-9,11,13,20H,1,3-7,10,12H2,(H,21,23)(H,22,24)
InChIKeyYTCHTIJQPDUWBE-UHFFFAOYSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824326
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide (CID 54818353) is 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide is C=CCNCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The InChIKey is YTCHTIJQPDUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-2-10-20-12-17(23)21-14-8-9-16(19)15(11-14)18(24)22-13-6-4-3-5-7-13/h2,8-9,11,13,20H,1,3-7,10,12H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide has a molecular weight of 349.86 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54818353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).