2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide

C15H20ClN3O — CID 5333078

IUPAC2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
SMILESCC1CCCC/C1=N/NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,11,17H,2-5,10H2,1H3,(H,19,20)/b18-14-
InChIKeyNULMCPNFRFEGFO-JXAWBTAJSA-N
MW293.80 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide

2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide (PubChem CID 5333078) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
PubChem CID5333078
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
SMILESCC1CCCC/C1=N/NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,11,17H,2-5,10H2,1H3,(H,19,20)/b18-14-
InChIKeyNULMCPNFRFEGFO-JXAWBTAJSA-N
XLogP3.43
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 1379155
2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5338973
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
CID 6941303
N-(4-bromophenyl)-N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]butanediamide
CID 7346988
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
CID 4657097
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 1219472
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 42996055
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide (CID 5333078) is 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide is CC1CCCC/C1=N/NC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The InChIKey is NULMCPNFRFEGFO-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,11,17H,2-5,10H2,1H3,(H,19,20)/b18-14-.
What are the key properties of 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide has a molecular weight of 293.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 5333078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).