N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H17N3O3 — CID 42936919

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H17N3O3/c18-17(22)20-13-7-5-11(6-8-13)10-19-16(21)15-9-12-3-1-2-4-14(12)23-15/h1-8,15H,9-10H2,(H,19,21)(H3,18,20,22)
InChIKeyQRSSMRFFVNMKCJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.80
Rot. Bonds4

About N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42936919) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42936919
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H17N3O3/c18-17(22)20-13-7-5-11(6-8-13)10-19-16(21)15-9-12-3-1-2-4-14(12)23-15/h1-8,15H,9-10H2,(H,19,21)(H3,18,20,22)
InChIKeyQRSSMRFFVNMKCJ-UHFFFAOYSA-N
XLogP1.80
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926752
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42929631
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51317174
N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55868914
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42936919) is N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)Nc1ccc(CNC(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is QRSSMRFFVNMKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-17(22)20-13-7-5-11(6-8-13)10-19-16(21)15-9-12-3-1-2-4-14(12)23-15/h1-8,15H,9-10H2,(H,19,21)(H3,18,20,22).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42936919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).