4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

C18H18Cl2N2O2 — CID 78804735

IUPAC4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(15-7-8-16(19)17(20)9-15)22-18(24)14-5-3-13(4-6-14)10-21-12(2)23/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXRIXWLWIJSXROY-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.12
Rot. Bonds5

About 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (PubChem CID 78804735) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
PubChem CID78804735
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(15-7-8-16(19)17(20)9-15)22-18(24)14-5-3-13(4-6-14)10-21-12(2)23/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXRIXWLWIJSXROY-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 46819019
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
[4-[4-[[(1R)-1-(3,4-dichlorophenyl)ethyl]carbamoyl]phenyl]phenyl] acetate
CID 2533185
3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 43470617
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
CID 63188927
4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716266
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (CID 78804735) is 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is CC(=O)NCc1ccc(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is XRIXWLWIJSXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11(15-7-8-16(19)17(20)9-15)22-18(24)14-5-3-13(4-6-14)10-21-12(2)23/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 78804735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).