N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide

C14H16N4O2 — CID 31812989

IUPACN-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCC1
InChIInChI=1S/C14H16N4O2/c15-9-14(7-1-2-8-14)12(19)17-10-3-5-11(6-4-10)18-13(16)20/h3-6H,1-2,7-8H2,(H,17,19)(H3,16,18,20)
InChIKeyWDRKXZADIXVANM-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.20
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide

N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide (PubChem CID 31812989) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
PubChem CID31812989
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCC1
InChIInChI=1S/C14H16N4O2/c15-9-14(7-1-2-8-14)12(19)17-10-3-5-11(6-4-10)18-13(16)20/h3-6H,1-2,7-8H2,(H,17,19)(H3,16,18,20)
InChIKeyWDRKXZADIXVANM-UHFFFAOYSA-N
XLogP2.20
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetylamino)phenyl]-2-cyclopentylacetamide
CID 2583017
N-[(4-acetamidophenyl)carbamothioyl]cyclopentanecarboxamide
CID 1263199
N-[4-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 896327
N-(4-acetamidophenyl)-3-cyclopentylpropanamide
CID 837283
N,N'-1,4-phenylenebis(1-methylcyclopentanecarboxamide)
CID 879235
3-cyclopentyl-N-(4-isocyanophenyl)propanamide
CID 172448836
3-cyano-3-methyl-N-phenylbutanamide
CID 135080884
1-cyano-N-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 8426493
1-cyano-N-(2,5-difluorophenyl)cyclopentane-1-carboxamide
CID 29240917
1-cyano-N-(2,4-difluorophenyl)cyclopentane-1-carboxamide
CID 29240918
1-cyano-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
CID 29240919
1-cyano-N-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 29240935

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide (CID 31812989) is N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCC1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide?
The InChIKey is WDRKXZADIXVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-9-14(7-1-2-8-14)12(19)17-10-3-5-11(6-4-10)18-13(16)20/h3-6H,1-2,7-8H2,(H,17,19)(H3,16,18,20).
What are the key properties of N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide?
N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 31812989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).