3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

C18H18Cl2N2O2 — CID 46436900

IUPAC3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-17(23)22-16-6-4-12(5-7-16)11(2)21-18(24)13-8-14(19)10-15(20)9-13/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVINLGJIGMPSCFO-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.83
Rot. Bonds5

About 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (PubChem CID 46436900) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
PubChem CID46436900
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-17(23)22-16-6-4-12(5-7-16)11(2)21-18(24)13-8-14(19)10-15(20)9-13/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVINLGJIGMPSCFO-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide 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-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
5-chloro-3-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 46433020
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033
2-chloro-4-nitro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46441304
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (CID 46436900) is 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The InChIKey is VINLGJIGMPSCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-3-17(23)22-16-6-4-12(5-7-16)11(2)21-18(24)13-8-14(19)10-15(20)9-13/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 46436900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).