2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide

C19H18N4O3 — CID 59285855

IUPAC2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccccc2OCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H18N4O3/c20-17(24)14-10-15(22-18(14)23-19(21)25)13-8-4-5-9-16(13)26-11-12-6-2-1-3-7-12/h1-10,22H,11H2,(H2,20,24)(H3,21,23,25)
InChIKeyDOZQEKQXLJOUFW-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.85
Rot. Bonds6

About 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 59285855) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID59285855
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccccc2OCc2ccccc2)cc1C(N)=O
InChIInChI=1S/C19H18N4O3/c20-17(24)14-10-15(22-18(14)23-19(21)25)13-8-4-5-9-16(13)26-11-12-6-2-1-3-7-12/h1-10,22H,11H2,(H2,20,24)(H3,21,23,25)
InChIKeyDOZQEKQXLJOUFW-UHFFFAOYSA-N
XLogP2.85
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide (CID 59285855) is 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2ccccc2OCc2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is DOZQEKQXLJOUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-17(24)14-10-15(22-18(14)23-19(21)25)13-8-4-5-9-16(13)26-11-12-6-2-1-3-7-12/h1-10,22H,11H2,(H2,20,24)(H3,21,23,25).
What are the key properties of 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).