N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C21H26ClN3O2 — CID 171712571

IUPACN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCNC(=O)Cc1ccccc1NC(=O)c1cccc(CC2CCNC2)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-22-20(25)13-17-6-2-3-8-19(17)24-21(26)18-7-4-5-15(12-18)11-16-9-10-23-14-16;/h2-8,12,16,23H,9-11,13-14H2,1H3,(H,22,25)(H,24,26);1H
InChIKeySFEBJUCALJAMGN-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171712571) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171712571
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCNC(=O)Cc1ccccc1NC(=O)c1cccc(CC2CCNC2)c1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-22-20(25)13-17-6-2-3-8-19(17)24-21(26)18-7-4-5-15(12-18)11-16-9-10-23-14-16;/h2-8,12,16,23H,9-11,13-14H2,1H3,(H,22,25)(H,24,26);1H
InChIKeySFEBJUCALJAMGN-UHFFFAOYSA-N
XLogP2.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbenzotriazol-5-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709502
N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
CID 166616860
methyl 1-methyl-5-[[3-(pyrrolidin-3-ylmethyl)benzoyl]amino]pyrazole-4-carboxylate;hydrochloride
CID 171710874
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171708243
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732
N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712860
[3-(pyrrolidin-3-ylmethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 171708776

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171712571) is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is CNC(=O)Cc1ccccc1NC(=O)c1cccc(CC2CCNC2)c1.Cl.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is SFEBJUCALJAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-22-20(25)13-17-6-2-3-8-19(17)24-21(26)18-7-4-5-15(12-18)11-16-9-10-23-14-16;/h2-8,12,16,23H,9-11,13-14H2,1H3,(H,22,25)(H,24,26);1H.
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171712571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).