3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide

C17H23N3O2 — CID 119513177

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC2CCCN2)c1
InChIInChI=1S/C17H23N3O2/c1-11-8-15(11)17(22)20-13-5-2-4-12(9-13)16(21)19-10-14-6-3-7-18-14/h2,4-5,9,11,14-15,18H,3,6-8,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyFQHACYUBXZFPLU-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.76
Rot. Bonds5

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119513177) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119513177
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC2CCCN2)c1
InChIInChI=1S/C17H23N3O2/c1-11-8-15(11)17(22)20-13-5-2-4-12(9-13)16(21)19-10-14-6-3-7-18-14/h2,4-5,9,11,14-15,18H,3,6-8,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyFQHACYUBXZFPLU-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119513177) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NCC2CCCN2)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is FQHACYUBXZFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-8-15(11)17(22)20-13-5-2-4-12(9-13)16(21)19-10-14-6-3-7-18-14/h2,4-5,9,11,14-15,18H,3,6-8,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119513177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).