2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide

C15H19BrN2O — CID 4143274

IUPAC2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
SMILESCCC1CCC(=NNC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O/c1-2-11-7-9-12(10-8-11)17-18-15(19)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,18,19)/b17-12-
InChIKeySRRWXNVMFQVANH-ATVHPVEESA-N
MW323.23 g/mol
LogP4.14
Rot. Bonds3

About 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide

2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide (PubChem CID 4143274) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
PubChem CID4143274
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
SMILESCCC1CCC(=NNC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O/c1-2-11-7-9-12(10-8-11)17-18-15(19)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,18,19)/b17-12-
InChIKeySRRWXNVMFQVANH-ATVHPVEESA-N
XLogP4.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.14
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

2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 3608983
4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 5062315
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
CID 5142375
N-(2-adamantylideneamino)-2-bromobenzamide
CID 4167138
N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 4080712
2-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4108125
2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 579792
2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
CID 129188643
N,N'-bis[(4-propylcyclohexylidene)amino]oxamide
CID 3378512

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide?
The IUPAC name of 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide (CID 4143274) is 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide?
The canonical SMILES for 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide is CCC1CCC(=NNC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide?
The InChIKey is SRRWXNVMFQVANH-ATVHPVEESA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-11-7-9-12(10-8-11)17-18-15(19)13-5-3-4-6-14(13)16/h3-6,11H,2,7-10H2,1H3,(H,18,19)/b17-12-.
What are the key properties of 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide?
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide has a molecular weight of 323.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 4143274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).