N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide

C21H22N4O2 — CID 55964825

IUPACN-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)22-21(27)24-19-8-4-3-7-18(19)23-20(26)16-9-11-17(12-10-16)25-13-5-6-14-25/h3-15H,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyGRJAGUXHAPGYNO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide

N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 55964825) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID55964825
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)22-21(27)24-19-8-4-3-7-18(19)23-20(26)16-9-11-17(12-10-16)25-13-5-6-14-25/h3-15H,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyGRJAGUXHAPGYNO-UHFFFAOYSA-N
XLogP4.26
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55963798
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
[3-[[2-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928052
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
methyl 2-hydroxy-3-[(4-pyrrol-1-ylbenzoyl)amino]benzoate
CID 56543092
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
N-imidazo[1,2-a]pyridin-8-yl-4-pyrrol-1-ylbenzamide
CID 110745743
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide (CID 55964825) is N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide is CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is GRJAGUXHAPGYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(2)22-21(27)24-19-8-4-3-7-18(19)23-20(26)16-9-11-17(12-10-16)25-13-5-6-14-25/h3-15H,1-2H3,(H,23,26)(H2,22,24,27).
What are the key properties of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55964825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).