1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea

C14H13N3O2 — CID 47177058

IUPAC1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
SMILESN#Cc1cccc(CNC(=O)NCc2ccco2)c1
InChIInChI=1S/C14H13N3O2/c15-8-11-3-1-4-12(7-11)9-16-14(18)17-10-13-5-2-6-19-13/h1-7H,9-10H2,(H2,16,17,18)
InChIKeyFZJGWRPSJDUUJO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.15
Rot. Bonds4

About 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea

1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea (PubChem CID 47177058) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
PubChem CID47177058
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
SMILESN#Cc1cccc(CNC(=O)NCc2ccco2)c1
InChIInChI=1S/C14H13N3O2/c15-8-11-3-1-4-12(7-11)9-16-14(18)17-10-13-5-2-6-19-13/h1-7H,9-10H2,(H2,16,17,18)
InChIKeyFZJGWRPSJDUUJO-UHFFFAOYSA-N
XLogP2.15
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea 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-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
1-(3-cyanophenyl)-3-(furan-2-ylmethyl)thiourea
CID 8614906
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
2-chloro-N-[(3-cyanophenyl)methylcarbamoyl]acetamide
CID 62313877
(E)-4-[(3-cyanophenyl)methylcarbamoylamino]but-2-enoic acid
CID 112746671
1-butan-2-yl-3-[(3-cyanophenyl)methyl]urea
CID 47216352
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea (CID 47177058) is 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea is N#Cc1cccc(CNC(=O)NCc2ccco2)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is FZJGWRPSJDUUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-8-11-3-1-4-12(7-11)9-16-14(18)17-10-13-5-2-6-19-13/h1-7H,9-10H2,(H2,16,17,18).
What are the key properties of 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea?
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 255.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 47177058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).