4-chloro-3-(hexylamino)benzamide

C13H19ClN2O — CID 43679410

IUPAC4-chloro-3-(hexylamino)benzamide
SMILESCCCCCCNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-3-4-5-8-16-12-9-10(13(15)17)6-7-11(12)14/h6-7,9,16H,2-5,8H2,1H3,(H2,15,17)
InChIKeyJBDVUBNWESMBPT-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.43
Rot. Bonds7

About 4-chloro-3-(hexylamino)benzamide

4-chloro-3-(hexylamino)benzamide (PubChem CID 43679410) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-3-(hexylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(hexylamino)benzamide
PubChem CID43679410
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-3-(hexylamino)benzamide
SMILESCCCCCCNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-2-3-4-5-8-16-12-9-10(13(15)17)6-7-11(12)14/h6-7,9,16H,2-5,8H2,1H3,(H2,15,17)
InChIKeyJBDVUBNWESMBPT-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(pentylamino)benzamide
CID 43679378
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
4-(heptylamino)-3-methylbenzamide
CID 43706885
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
methyl 4-amino-3-(octylamino)benzoate
CID 82796381
methyl 4-amino-3-(hexylamino)benzoate
CID 82796460
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
6-(hexylamino)pyridine-3-carboxamide
CID 112722796

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(hexylamino)benzamide?
The IUPAC name of 4-chloro-3-(hexylamino)benzamide (CID 43679410) is 4-chloro-3-(hexylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(hexylamino)benzamide?
The canonical SMILES for 4-chloro-3-(hexylamino)benzamide is CCCCCCNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(hexylamino)benzamide?
The InChIKey is JBDVUBNWESMBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-3-4-5-8-16-12-9-10(13(15)17)6-7-11(12)14/h6-7,9,16H,2-5,8H2,1H3,(H2,15,17).
What are the key properties of 4-chloro-3-(hexylamino)benzamide?
4-chloro-3-(hexylamino)benzamide has a molecular weight of 254.76 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(hexylamino)benzamide is sourced from PubChem (CID 43679410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).