N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide

C20H23N3O2 — CID 119540740

IUPACN-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
SMILESCNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c1-21-13-15-11-12-23(14-15)20(25)17-9-5-6-10-18(17)22-19(24)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3,(H,22,24)
InChIKeyMXGRVVPVSCFFMA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide

N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide (PubChem CID 119540740) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
PubChem CID119540740
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
SMILESCNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c1-21-13-15-11-12-23(14-15)20(25)17-9-5-6-10-18(17)22-19(24)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3,(H,22,24)
InChIKeyMXGRVVPVSCFFMA-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119542097
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide (CID 119540740) is N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide is CNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
The InChIKey is MXGRVVPVSCFFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-13-15-11-12-23(14-15)20(25)17-9-5-6-10-18(17)22-19(24)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3,(H,22,24).
What are the key properties of N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide?
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 119540740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).