N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C20H23N3O2 — CID 146121744

IUPACN-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C20H23N3O2/c1-21-19(24)17-8-5-9-18(13-17)22-20(25)16-7-4-6-15(12-16)14-23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWUQSZOPNTWLICU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.89
Rot. Bonds5

About N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 146121744) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID146121744
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C20H23N3O2/c1-21-19(24)17-8-5-9-18(13-17)22-20(25)16-7-4-6-15(12-16)14-23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWUQSZOPNTWLICU-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-(4-methyl-3-nitrophenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560572
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119516230

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 146121744) is N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is CNC(=O)c1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is WUQSZOPNTWLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-19(24)17-8-5-9-18(13-17)22-20(25)16-7-4-6-15(12-16)14-23-10-2-3-11-23/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 146121744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).