4-amino-3-chloro-N-(5-methylhexyl)benzamide

C14H21ClN2O — CID 115325439

IUPAC4-amino-3-chloro-N-(5-methylhexyl)benzamide
SMILESCC(C)CCCCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(2)5-3-4-8-17-14(18)11-6-7-13(16)12(15)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyXERPMNGADJTFGC-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.48
Rot. Bonds6

About 4-amino-3-chloro-N-(5-methylhexyl)benzamide

4-amino-3-chloro-N-(5-methylhexyl)benzamide (PubChem CID 115325439) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(5-methylhexyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(5-methylhexyl)benzamide
PubChem CID115325439
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-amino-3-chloro-N-(5-methylhexyl)benzamide
SMILESCC(C)CCCCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(2)5-3-4-8-17-14(18)11-6-7-13(16)12(15)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyXERPMNGADJTFGC-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
3-chloro-N-(5-methylhexyl)-4-nitrobenzamide
CID 82781662
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
4-amino-3-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115519387
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(5-methylhexyl)benzamide
CID 115326942
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(5-methylhexyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(5-methylhexyl)benzamide (CID 115325439) is 4-amino-3-chloro-N-(5-methylhexyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(5-methylhexyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(5-methylhexyl)benzamide is CC(C)CCCCNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(5-methylhexyl)benzamide?
The InChIKey is XERPMNGADJTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)5-3-4-8-17-14(18)11-6-7-13(16)12(15)9-11/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-chloro-N-(5-methylhexyl)benzamide?
4-amino-3-chloro-N-(5-methylhexyl)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(5-methylhexyl)benzamide is sourced from PubChem (CID 115325439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).