3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide

C19H21Cl2N3O3 — CID 108574925

IUPAC3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21Cl2N3O3/c1-24(2)13-6-4-12(5-7-13)18(25)22-10-11-23-19(26)16-14(20)8-9-15(21)17(16)27-3/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyJJTDZXQCVVSIGC-UHFFFAOYSA-N
MW410.30 g/mol
LogP3.23
Rot. Bonds7

About 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide

3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide (PubChem CID 108574925) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
PubChem CID108574925
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21Cl2N3O3/c1-24(2)13-6-4-12(5-7-13)18(25)22-10-11-23-19(26)16-14(20)8-9-15(21)17(16)27-3/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyJJTDZXQCVVSIGC-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108574475
3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573757
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108573308
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide (CID 108574925) is 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide?
The InChIKey is JJTDZXQCVVSIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-24(2)13-6-4-12(5-7-13)18(25)22-10-11-23-19(26)16-14(20)8-9-15(21)17(16)27-3/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide?
3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide has a molecular weight of 410.30 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108574925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).