N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide

C19H20Cl2N2O2 — CID 55916150

IUPACN-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-2-23(13-14-8-9-16(20)17(21)12-14)18(24)10-11-22-19(25)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,25)
InChIKeyYEHVRHIHLIUJDB-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.16
Rot. Bonds7

About N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide

N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide (PubChem CID 55916150) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
PubChem CID55916150
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-2-23(13-14-8-9-16(20)17(21)12-14)18(24)10-11-22-19(25)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,25)
InChIKeyYEHVRHIHLIUJDB-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
4-chloro-N-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-3-oxopropyl]benzamide
CID 18160684
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
3-benzamidopropyl-[(3,4-dichlorophenyl)methyl]-dimethylazanium
CID 87782672
N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
CID 34132705
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
3-[[benzyl(methyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 56580420

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide (CID 55916150) is N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide?
The InChIKey is YEHVRHIHLIUJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-2-23(13-14-8-9-16(20)17(21)12-14)18(24)10-11-22-19(25)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,25).
What are the key properties of N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide?
N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55916150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).