3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide

C16H21ClN2O — CID 5115371

IUPAC3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
SMILESCCCC1CCC(=NNC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H21ClN2O/c1-2-4-12-7-9-15(10-8-12)18-19-16(20)13-5-3-6-14(17)11-13/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,20)/b18-15-
InChIKeySIYAZXDGYQQGGU-SDXDJHTJSA-N
MW292.81 g/mol
LogP4.42
Rot. Bonds4

About 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide

3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide (PubChem CID 5115371) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
PubChem CID5115371
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
SMILESCCCC1CCC(=NNC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H21ClN2O/c1-2-4-12-7-9-15(10-8-12)18-19-16(20)13-5-3-6-14(17)11-13/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,20)/b18-15-
InChIKeySIYAZXDGYQQGGU-SDXDJHTJSA-N
XLogP4.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4556862
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
N-[(4-propylcyclohexylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556237
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
CID 5142375
2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
(6S)-2-[(3-chlorobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1011933
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
3-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9174950

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide?
The IUPAC name of 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide (CID 5115371) is 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide?
The canonical SMILES for 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide is CCCC1CCC(=NNC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide?
The InChIKey is SIYAZXDGYQQGGU-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-2-4-12-7-9-15(10-8-12)18-19-16(20)13-5-3-6-14(17)11-13/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,20)/b18-15-.
What are the key properties of 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide?
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide has a molecular weight of 292.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 5115371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).