N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide

C18H18ClFN2O4 — CID 108538805

IUPACN-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O4/c1-25-13-7-4-8-14(26-2)16(13)18(24)22-10-9-21-17(23)15-11(19)5-3-6-12(15)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAEGNRJWUFSULGP-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.66
Rot. Bonds7

About N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide

N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide (PubChem CID 108538805) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
PubChem CID108538805
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC NameN-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O4/c1-25-13-7-4-8-14(26-2)16(13)18(24)22-10-9-21-17(23)15-11(19)5-3-6-12(15)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAEGNRJWUFSULGP-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.66
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-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide (CID 108538805) is N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is AEGNRJWUFSULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-25-13-7-4-8-14(26-2)16(13)18(24)22-10-9-21-17(23)15-11(19)5-3-6-12(15)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 380.80 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 108538805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).