4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide

C16H14N4O2 — CID 35614200

IUPAC4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C16H14N4O2/c17-9-11-3-7-14(8-4-11)20-15(21)13-5-1-12(2-6-13)10-19-16(18)22/h1-8H,10H2,(H,20,21)(H3,18,19,22)
InChIKeyJRQNCADPLCKLNI-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.98
Rot. Bonds4

About 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide

4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide (PubChem CID 35614200) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
PubChem CID35614200
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C16H14N4O2/c17-9-11-3-7-14(8-4-11)20-15(21)13-5-1-12(2-6-13)10-19-16(18)22/h1-8H,10H2,(H,20,21)(H3,18,19,22)
InChIKeyJRQNCADPLCKLNI-UHFFFAOYSA-N
XLogP1.98
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62269661
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4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
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N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
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N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
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CID 29205734

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide (CID 35614200) is 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide?
The InChIKey is JRQNCADPLCKLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-9-11-3-7-14(8-4-11)20-15(21)13-5-1-12(2-6-13)10-19-16(18)22/h1-8H,10H2,(H,20,21)(H3,18,19,22).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide?
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 35614200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).