2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide

C18H18ClFN2O4 — CID 108537784

IUPAC2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C18H18ClFN2O4/c1-25-14-7-6-11(10-15(14)26-2)17(23)21-8-9-22-18(24)16-12(19)4-3-5-13(16)20/h3-7,10H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUYRHPVWATOIQOO-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.66
Rot. Bonds7

About 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide

2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide (PubChem CID 108537784) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
PubChem CID108537784
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C18H18ClFN2O4/c1-25-14-7-6-11(10-15(14)26-2)17(23)21-8-9-22-18(24)16-12(19)4-3-5-13(16)20/h3-7,10H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUYRHPVWATOIQOO-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'}

Analyze 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
CID 45001704
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide (CID 108537784) is 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide is COc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide?
The InChIKey is UYRHPVWATOIQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-25-14-7-6-11(10-15(14)26-2)17(23)21-8-9-22-18(24)16-12(19)4-3-5-13(16)20/h3-7,10H,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide?
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide 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 2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide is sourced from PubChem (CID 108537784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).