2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide

C20H23N3O2 — CID 53281785

IUPAC2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCCC3)cc2)cccc1C(N)=O
InChIInChI=1S/C20H23N3O2/c1-14-17(19(21)24)5-4-6-18(14)22-20(25)16-9-7-15(8-10-16)13-23-11-2-3-12-23/h4-10H,2-3,11-13H2,1H3,(H2,21,24)(H,22,25)
InChIKeyIAOBXQRFIGJZFP-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide

2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 53281785) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID53281785
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCCC3)cc2)cccc1C(N)=O
InChIInChI=1S/C20H23N3O2/c1-14-17(19(21)24)5-4-6-18(14)22-20(25)16-9-7-15(8-10-16)13-23-11-2-3-12-23/h4-10H,2-3,11-13H2,1H3,(H2,21,24)(H,22,25)
InChIKeyIAOBXQRFIGJZFP-UHFFFAOYSA-N
XLogP2.94
TPSA75.43 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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283610
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 43924425
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
CID 28566722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide (CID 53281785) is 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide is Cc1c(NC(=O)c2ccc(CN3CCCC3)cc2)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is IAOBXQRFIGJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-17(19(21)24)5-4-6-18(14)22-20(25)16-9-7-15(8-10-16)13-23-11-2-3-12-23/h4-10H,2-3,11-13H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide?
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 53281785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).