4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide

C17H19BrN4O3 — CID 30780727

IUPAC4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C17H19BrN4O3/c18-12-9-15(19-10-12)17(24)21-14-3-1-13(2-4-14)20-16(23)11-22-5-7-25-8-6-22/h1-4,9-10,19H,5-8,11H2,(H,20,23)(H,21,24)
InChIKeyWZWLSHJTMPYARV-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.30
Rot. Bonds5

About 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 30780727) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID30780727
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC Name4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C17H19BrN4O3/c18-12-9-15(19-10-12)17(24)21-14-3-1-13(2-4-14)20-16(23)11-22-5-7-25-8-6-22/h1-4,9-10,19H,5-8,11H2,(H,20,23)(H,21,24)
InChIKeyWZWLSHJTMPYARV-UHFFFAOYSA-N
XLogP2.30
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 52673868
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
CID 30780430
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 55850060
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 30780885

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide (CID 30780727) is 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1.
What is the InChIKey of 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WZWLSHJTMPYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c18-12-9-15(19-10-12)17(24)21-14-3-1-13(2-4-14)20-16(23)11-22-5-7-25-8-6-22/h1-4,9-10,19H,5-8,11H2,(H,20,23)(H,21,24).
What are the key properties of 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 407.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 30780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).