2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide

C21H28ClN3O — CID 163509812

IUPAC2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccccc1Nc1cccc(Cl)c1C
InChIInChI=1S/C21H28ClN3O/c1-4-25(5-2)15-9-14-23-21(26)17-10-6-7-12-20(17)24-19-13-8-11-18(22)16(19)3/h6-8,10-13,24H,4-5,9,14-15H2,1-3H3,(H,23,26)
InChIKeyDBSVHXGUKGKVAQ-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.85
Rot. Bonds9

About 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide

2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide (PubChem CID 163509812) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
PubChem CID163509812
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccccc1Nc1cccc(Cl)c1C
InChIInChI=1S/C21H28ClN3O/c1-4-25(5-2)15-9-14-23-21(26)17-10-6-7-12-20(17)24-19-13-8-11-18(22)16(19)3/h6-8,10-13,24H,4-5,9,14-15H2,1-3H3,(H,23,26)
InChIKeyDBSVHXGUKGKVAQ-UHFFFAOYSA-N
XLogP4.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552297
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide (CID 163509812) is 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide is CCN(CC)CCCNC(=O)c1ccccc1Nc1cccc(Cl)c1C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide?
The InChIKey is DBSVHXGUKGKVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c1-4-25(5-2)15-9-14-23-21(26)17-10-6-7-12-20(17)24-19-13-8-11-18(22)16(19)3/h6-8,10-13,24H,4-5,9,14-15H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide?
2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide has a molecular weight of 373.93 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 163509812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).