N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide

C17H17Cl2N3O2 — CID 113055305

IUPACN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccnc1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-13-3-2-6-20-10-13)8-7-21-17(24)14-4-5-15(18)16(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)
InChIKeyMSSFSFLIBLBRTP-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide (PubChem CID 113055305) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
PubChem CID113055305
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccnc1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-13-3-2-6-20-10-13)8-7-21-17(24)14-4-5-15(18)16(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)
InChIKeyMSSFSFLIBLBRTP-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide (CID 113055305) is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide is CC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccnc1.
What is the InChIKey of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide?
The InChIKey is MSSFSFLIBLBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-12(23)22(11-13-3-2-6-20-10-13)8-7-21-17(24)14-4-5-15(18)16(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide?
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide has a molecular weight of 366.25 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 113055305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).