N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide

C18H17ClF2N2O2 — CID 51192847

IUPACN-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H17ClF2N2O2/c19-13-3-1-2-12(10-13)6-8-22-17(24)7-9-23-18(25)15-5-4-14(20)11-16(15)21/h1-5,10-11H,6-9H2,(H,22,24)(H,23,25)
InChIKeyOTWLHCRMNKSDJJ-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.10
Rot. Bonds7

About N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 51192847) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID51192847
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC NameN-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H17ClF2N2O2/c19-13-3-1-2-12(10-13)6-8-22-17(24)7-9-23-18(25)15-5-4-14(20)11-16(15)21/h1-5,10-11H,6-9H2,(H,22,24)(H,23,25)
InChIKeyOTWLHCRMNKSDJJ-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide 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-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide (CID 51192847) is N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is OTWLHCRMNKSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c19-13-3-1-2-12(10-13)6-8-22-17(24)7-9-23-18(25)15-5-4-14(20)11-16(15)21/h1-5,10-11H,6-9H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 366.80 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51192847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).