N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

C21H29Cl2N3O — CID 119438516

IUPACN-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-2-22-15-17-7-6-10-20(14-17)23-21(25)19-9-5-8-18(13-19)16-24-11-3-4-12-24;;/h5-10,13-14,22H,2-4,11-12,15-16H2,1H3,(H,23,25);2*1H
InChIKeyBCJYCXXCJRGXSQ-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.49
Rot. Bonds7

About N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride (PubChem CID 119438516) has the molecular formula C21H29Cl2N3O and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
PubChem CID119438516
Molecular FormulaC21H29Cl2N3O
Molecular Weight410.39 g/mol
Exact Mass409.17
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-2-22-15-17-7-6-10-20(14-17)23-21(25)19-9-5-8-18(13-19)16-24-11-3-4-12-24;;/h5-10,13-14,22H,2-4,11-12,15-16H2,1H3,(H,23,25);2*1H
InChIKeyBCJYCXXCJRGXSQ-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride (CID 119438516) is N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride is CCNCc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1.Cl.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The InChIKey is BCJYCXXCJRGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.2ClH/c1-2-22-15-17-7-6-10-20(14-17)23-21(25)19-9-5-8-18(13-19)16-24-11-3-4-12-24;;/h5-10,13-14,22H,2-4,11-12,15-16H2,1H3,(H,23,25);2*1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119438516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).