3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide

C15H24ClN3O — CID 82546388

IUPAC3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
SMILESCCN(CC)CCCCNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-3-19(4-2)10-6-5-9-18-15(20)12-7-8-13(16)14(17)11-12/h7-8,11H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeySGQOIGIYMDLBHY-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.77
Rot. Bonds8

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

3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide (PubChem CID 82546388) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
PubChem CID82546388
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide
SMILESCCN(CC)CCCCNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-3-19(4-2)10-6-5-9-18-15(20)12-7-8-13(16)14(17)11-12/h7-8,11H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeySGQOIGIYMDLBHY-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
3,4-diamino-N-dodecylbenzamide
CID 22411166
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide (CID 82546388) is 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide is CCN(CC)CCCCNC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide?
The InChIKey is SGQOIGIYMDLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-19(4-2)10-6-5-9-18-15(20)12-7-8-13(16)14(17)11-12/h7-8,11H,3-6,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide?
3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide has a molecular weight of 297.83 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[4-(diethylamino)butyl]benzamide is sourced from PubChem (CID 82546388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).