N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide

C15H19N3O — CID 62329239

IUPACN-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
SMILESCC(C)NC(=O)c1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C15H19N3O/c1-11(2)18-15(19)12-5-3-6-13(9-12)17-10-14-7-4-8-16-14/h3-9,11,16-17H,10H2,1-2H3,(H,18,19)
InChIKeyUVXMEFAJHZDIPA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

About N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide

N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide (PubChem CID 62329239) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
PubChem CID62329239
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
SMILESCC(C)NC(=O)c1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C15H19N3O/c1-11(2)18-15(19)12-5-3-6-13(9-12)17-10-14-7-4-8-16-14/h3-9,11,16-17H,10H2,1-2H3,(H,18,19)
InChIKeyUVXMEFAJHZDIPA-UHFFFAOYSA-N
XLogP2.77
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 66413497
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
CID 43693975
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide?
The IUPAC name of N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide (CID 62329239) is N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide.
What is the SMILES notation for N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide?
The canonical SMILES for N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide is CC(C)NC(=O)c1cccc(NCc2ccc[nH]2)c1.
What is the InChIKey of N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide?
The InChIKey is UVXMEFAJHZDIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)18-15(19)12-5-3-6-13(9-12)17-10-14-7-4-8-16-14/h3-9,11,16-17H,10H2,1-2H3,(H,18,19).
What are the key properties of N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide?
N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide is sourced from PubChem (CID 62329239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).