3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide

C18H18Cl2N2O2 — CID 38993458

IUPAC3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
SMILESCc1ccc(CC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-2-4-13(5-3-12)10-17(23)21-8-9-22-18(24)14-6-7-15(19)16(20)11-14/h2-7,11H,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyWZVNRXRPNHYPMK-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.39
Rot. Bonds6

About 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide

3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide (PubChem CID 38993458) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
PubChem CID38993458
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
SMILESCc1ccc(CC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-2-4-13(5-3-12)10-17(23)21-8-9-22-18(24)14-6-7-15(19)16(20)11-14/h2-7,11H,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyWZVNRXRPNHYPMK-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide (CID 38993458) is 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide is Cc1ccc(CC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide?
The InChIKey is WZVNRXRPNHYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-2-4-13(5-3-12)10-17(23)21-8-9-22-18(24)14-6-7-15(19)16(20)11-14/h2-7,11H,8-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide?
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 38993458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).