2-amino-6-chloro-N-(7-methyloctyl)benzamide

C16H25ClN2O — CID 107814571

IUPAC2-amino-6-chloro-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-12(2)8-5-3-4-6-11-19-16(20)15-13(17)9-7-10-14(15)18/h7,9-10,12H,3-6,8,11,18H2,1-2H3,(H,19,20)
InChIKeyRZUNDNYCWQNAND-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.26
Rot. Bonds8

About 2-amino-6-chloro-N-(7-methyloctyl)benzamide

2-amino-6-chloro-N-(7-methyloctyl)benzamide (PubChem CID 107814571) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(7-methyloctyl)benzamide
PubChem CID107814571
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-amino-6-chloro-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-12(2)8-5-3-4-6-11-19-16(20)15-13(17)9-7-10-14(15)18/h7,9-10,12H,3-6,8,11,18H2,1-2H3,(H,19,20)
InChIKeyRZUNDNYCWQNAND-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.26
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'}

Analyze 2-amino-6-chloro-N-(7-methyloctyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(7-methyloctyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(7-methyloctyl)benzamide (CID 107814571) is 2-amino-6-chloro-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(7-methyloctyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(7-methyloctyl)benzamide is CC(C)CCCCCCNC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(7-methyloctyl)benzamide?
The InChIKey is RZUNDNYCWQNAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)8-5-3-4-6-11-19-16(20)15-13(17)9-7-10-14(15)18/h7,9-10,12H,3-6,8,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-6-chloro-N-(7-methyloctyl)benzamide?
2-amino-6-chloro-N-(7-methyloctyl)benzamide has a molecular weight of 296.84 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 107814571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).