3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

C18H18Cl2N2O3 — CID 108573757

IUPAC3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1cccc(C)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-11-4-3-5-12(10-11)17(23)21-8-9-22-18(24)15-13(19)6-7-14(20)16(15)25-2/h3-7,10H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLEPDXQNNLYXQKA-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.47
Rot. Bonds6

About 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (PubChem CID 108573757) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
PubChem CID108573757
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1cccc(C)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-11-4-3-5-12(10-11)17(23)21-8-9-22-18(24)15-13(19)6-7-14(20)16(15)25-2/h3-7,10H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLEPDXQNNLYXQKA-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.47
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-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108574475
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
CID 108574925
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108573308
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (CID 108573757) is 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1cccc(C)c1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The InChIKey is LEPDXQNNLYXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11-4-3-5-12(10-11)17(23)21-8-9-22-18(24)15-13(19)6-7-14(20)16(15)25-2/h3-7,10H,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide has a molecular weight of 381.26 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108573757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).