3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide

C18H17Cl3N2O4 — CID 108572251

IUPAC3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C18H17Cl3N2O4/c1-26-14-6-3-10(19)9-11(14)17(24)22-7-8-23-18(25)15-12(20)4-5-13(21)16(15)27-2/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYUZWTWRMZKFXJF-UHFFFAOYSA-N
MW431.70 g/mol
LogP3.82
Rot. Bonds7

About 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide

3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 108572251) has the molecular formula C18H17Cl3N2O4 and a molecular weight of 431.70 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
PubChem CID108572251
Molecular FormulaC18H17Cl3N2O4
Molecular Weight431.70 g/mol
Exact Mass430.03
IUPAC Name3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C18H17Cl3N2O4/c1-26-14-6-3-10(19)9-11(14)17(24)22-7-8-23-18(25)15-12(20)4-5-13(21)16(15)27-2/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYUZWTWRMZKFXJF-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.70
LogP ≤ 53.82
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

2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide (CID 108572251) is 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1c(Cl)ccc(Cl)c1OC.
What is the InChIKey of 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is YUZWTWRMZKFXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O4/c1-26-14-6-3-10(19)9-11(14)17(24)22-7-8-23-18(25)15-12(20)4-5-13(21)16(15)27-2/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide?
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 431.70 g/mol, XLogP of 3.82, 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-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108572251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).