N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide

C23H23N3O2 — CID 24597417

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1-n1cccc1
InChIInChI=1S/C23H23N3O2/c1-16-7-8-19(14-21(16)26-11-2-3-12-26)22(27)24-15-17-5-4-6-20(13-17)25-23(28)18-9-10-18/h2-8,11-14,18H,9-10,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyXOHZMFQWMBZEPQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.06
Rot. Bonds6

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 24597417) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID24597417
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1-n1cccc1
InChIInChI=1S/C23H23N3O2/c1-16-7-8-19(14-21(16)26-11-2-3-12-26)22(27)24-15-17-5-4-6-20(13-17)25-23(28)18-9-10-18/h2-8,11-14,18H,9-10,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyXOHZMFQWMBZEPQ-UHFFFAOYSA-N
XLogP4.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 60535612
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide (CID 24597417) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1-n1cccc1.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is XOHZMFQWMBZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-7-8-19(14-21(16)26-11-2-3-12-26)22(27)24-15-17-5-4-6-20(13-17)25-23(28)18-9-10-18/h2-8,11-14,18H,9-10,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24597417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).