1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea

C14H13IN2O2 — CID 108895747

IUPAC1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea
SMILESCc1cc(I)ccc1NC(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13IN2O2/c1-9-7-10(15)5-6-13(9)17-14(19)16-11-3-2-4-12(18)8-11/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyRZACGARUZUJRLP-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.95
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea

1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea (PubChem CID 108895747) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea
PubChem CID108895747
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea
SMILESCc1cc(I)ccc1NC(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13IN2O2/c1-9-7-10(15)5-6-13(9)17-14(19)16-11-3-2-4-12(18)8-11/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyRZACGARUZUJRLP-UHFFFAOYSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 22745166

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea (CID 108895747) is 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea is Cc1cc(I)ccc1NC(=O)Nc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea?
The InChIKey is RZACGARUZUJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-9-7-10(15)5-6-13(9)17-14(19)16-11-3-2-4-12(18)8-11/h2-8,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea?
1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea has a molecular weight of 368.17 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea is sourced from PubChem (CID 108895747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).