N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide

C16H14Cl2N2O2 — CID 9336870

IUPACN-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c17-13-7-6-12(8-14(13)18)16(22)20-10-15(21)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyLKBDYVKUCWTLOI-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide

N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 9336870) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID9336870
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c17-13-7-6-12(8-14(13)18)16(22)20-10-15(21)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyLKBDYVKUCWTLOI-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
[2-(benzylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 4803829
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
3,4-dichloro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 9332038
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
CID 81229372
5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
CID 119234912
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide (CID 9336870) is N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is LKBDYVKUCWTLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-13-7-6-12(8-14(13)18)16(22)20-10-15(21)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 337.21 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 9336870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).