N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide

C18H17ClFN3O3 — CID 121062127

IUPACN-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFN3O3/c1-11(24)21-9-10-22-17(25)12-5-7-13(8-6-12)23-18(26)16-14(19)3-2-4-15(16)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyJSVNZLSFEWQUJB-UHFFFAOYSA-N
MW377.80 g/mol
LogP2.60
Rot. Bonds6

About N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide

N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide (PubChem CID 121062127) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
PubChem CID121062127
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H17ClFN3O3/c1-11(24)21-9-10-22-17(25)12-5-7-13(8-6-12)23-18(26)16-14(19)3-2-4-15(16)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyJSVNZLSFEWQUJB-UHFFFAOYSA-N
XLogP2.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-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-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
CID 33255433

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide (CID 121062127) is N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide?
The InChIKey is JSVNZLSFEWQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-11(24)21-9-10-22-17(25)12-5-7-13(8-6-12)23-18(26)16-14(19)3-2-4-15(16)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide?
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide has a molecular weight of 377.80 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 121062127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).