4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

C18H21N3O2 — CID 31217132

IUPAC4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1C
InChIInChI=1S/C18H21N3O2/c1-12-3-10-16(21(12)2)11-19-17(22)13-6-8-15(9-7-13)20-18(23)14-4-5-14/h3,6-10,14H,4-5,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAGVKPHYORPFPGO-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.61
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (PubChem CID 31217132) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
PubChem CID31217132
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1C
InChIInChI=1S/C18H21N3O2/c1-12-3-10-16(21(12)2)11-19-17(22)13-6-8-15(9-7-13)20-18(23)14-4-5-14/h3,6-10,14H,4-5,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAGVKPHYORPFPGO-UHFFFAOYSA-N
XLogP2.61
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (CID 31217132) is 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1C.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The InChIKey is AGVKPHYORPFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-3-10-16(21(12)2)11-19-17(22)13-6-8-15(9-7-13)20-18(23)14-4-5-14/h3,6-10,14H,4-5,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 31217132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).