1-(2-methylphenyl)-3-(4-nitrosophenyl)urea

C14H13N3O2 — CID 174923533

IUPAC1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(N=O)cc1
InChIInChI=1S/C14H13N3O2/c1-10-4-2-3-5-13(10)16-14(18)15-11-6-8-12(17-19)9-7-11/h2-9H,1H3,(H2,15,16,18)
InChIKeyVPWULCMIAPAKPC-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.04
Rot. Bonds3

About 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea

1-(2-methylphenyl)-3-(4-nitrosophenyl)urea (PubChem CID 174923533) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
PubChem CID174923533
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(N=O)cc1
InChIInChI=1S/C14H13N3O2/c1-10-4-2-3-5-13(10)16-14(18)15-11-6-8-12(17-19)9-7-11/h2-9H,1H3,(H2,15,16,18)
InChIKeyVPWULCMIAPAKPC-UHFFFAOYSA-N
XLogP4.04
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylphenyl)-3-(4-nitrosophenyl)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

1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
2-chloro-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
CID 141036417
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
CID 148876031
1-(2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014295
1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 70893562
(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 70107812
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea (CID 174923533) is 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(N=O)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea?
The InChIKey is VPWULCMIAPAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-4-2-3-5-13(10)16-14(18)15-11-6-8-12(17-19)9-7-11/h2-9H,1H3,(H2,15,16,18).
What are the key properties of 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea?
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea has a molecular weight of 255.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(4-nitrosophenyl)urea is sourced from PubChem (CID 174923533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).