4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide

C20H17BrN4O3 — CID 166216918

IUPAC4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c[nH]1
InChIInChI=1S/C20H17BrN4O3/c21-14-6-4-12(5-7-14)8-18(26)24-15-3-1-2-13(9-15)20(28)25-16-10-17(19(22)27)23-11-16/h1-7,9-11,23H,8H2,(H2,22,27)(H,24,26)(H,25,28)
InChIKeyOWAQOMWKRNMOKN-UHFFFAOYSA-N
MW441.29 g/mol
LogP3.31
Rot. Bonds6

About 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide

4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide (PubChem CID 166216918) has the molecular formula C20H17BrN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide
PubChem CID166216918
Molecular FormulaC20H17BrN4O3
Molecular Weight441.29 g/mol
Exact Mass440.05
IUPAC Name4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c[nH]1
InChIInChI=1S/C20H17BrN4O3/c21-14-6-4-12(5-7-14)8-18(26)24-15-3-1-2-13(9-15)20(28)25-16-10-17(19(22)27)23-11-16/h1-7,9-11,23H,8H2,(H2,22,27)(H,24,26)(H,25,28)
InChIKeyOWAQOMWKRNMOKN-UHFFFAOYSA-N
XLogP3.31
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
piperidin-4-yl 3-[[2-[4-[(4-bromobenzoyl)amino]phenyl]acetyl]amino]benzoate
CID 166329576
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide
CID 112823671
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
CID 171062625

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide (CID 166216918) is 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c[nH]1.
What is the InChIKey of 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide?
The InChIKey is OWAQOMWKRNMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3/c21-14-6-4-12(5-7-14)8-18(26)24-15-3-1-2-13(9-15)20(28)25-16-10-17(19(22)27)23-11-16/h1-7,9-11,23H,8H2,(H2,22,27)(H,24,26)(H,25,28).
What are the key properties of 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide?
4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide has a molecular weight of 441.29 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[2-(4-bromophenyl)acetyl]amino]benzoyl]amino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166216918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).