N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide

C16H14N4O2 — CID 108884114

IUPACN-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H14N4O2/c1-11(21)18-14-3-2-4-15(9-14)20-16(22)19-13-7-5-12(10-17)6-8-13/h2-9H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyZRPUYLAQFQOIEP-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.16
Rot. Bonds3

About N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide

N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide (PubChem CID 108884114) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
PubChem CID108884114
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H14N4O2/c1-11(21)18-14-3-2-4-15(9-14)20-16(22)19-13-7-5-12(10-17)6-8-13/h2-9H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyZRPUYLAQFQOIEP-UHFFFAOYSA-N
XLogP3.16
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(4-cyanophenyl)-3-(3-formylphenyl)urea
CID 106912803
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide (CID 108884114) is N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is ZRPUYLAQFQOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11(21)18-14-3-2-4-15(9-14)20-16(22)19-13-7-5-12(10-17)6-8-13/h2-9H,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide?
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).