4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide

C16H14N4O3 — CID 26114223

IUPAC4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C16H14N4O3/c17-9-10-23-14-7-5-12(6-8-14)19-15(21)11-1-3-13(4-2-11)20-16(18)22/h1-8H,10H2,(H,19,21)(H3,18,20,22)
InChIKeyUFXJKLSOQMRFGB-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.33
Rot. Bonds5

About 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide

4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide (PubChem CID 26114223) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
PubChem CID26114223
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C16H14N4O3/c17-9-10-23-14-7-5-12(6-8-14)19-15(21)11-1-3-13(4-2-11)20-16(18)22/h1-8H,10H2,(H,19,21)(H3,18,20,22)
InChIKeyUFXJKLSOQMRFGB-UHFFFAOYSA-N
XLogP2.33
TPSA117.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30662859
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide (CID 26114223) is 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide is N#CCOc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide?
The InChIKey is UFXJKLSOQMRFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-9-10-23-14-7-5-12(6-8-14)19-15(21)11-1-3-13(4-2-11)20-16(18)22/h1-8H,10H2,(H,19,21)(H3,18,20,22).
What are the key properties of 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide?
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide has a molecular weight of 310.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 26114223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).