1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

C19H23IN2O2 — CID 108878706

IUPAC1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCc1cc(I)ccc1NC(=O)NC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H23IN2O2/c1-12(2)16-7-5-6-8-18(16)24-14(4)21-19(23)22-17-10-9-15(20)11-13(17)3/h5-12,14H,1-4H3,(H2,21,22,23)
InChIKeyMFDAWBSEBOPTDQ-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.27
Rot. Bonds5

About 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108878706) has the molecular formula C19H23IN2O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID108878706
Molecular FormulaC19H23IN2O2
Molecular Weight438.31 g/mol
Exact Mass438.08
IUPAC Name1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCc1cc(I)ccc1NC(=O)NC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H23IN2O2/c1-12(2)16-7-5-6-8-18(16)24-14(4)21-19(23)22-17-10-9-15(20)11-13(17)3/h5-12,14H,1-4H3,(H2,21,22,23)
InChIKeyMFDAWBSEBOPTDQ-UHFFFAOYSA-N
XLogP5.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878608
1-(3-bromophenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878820
2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide
CID 53266571
1-(4-iodo-2-methylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2444077
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108878902
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95076832
N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide
CID 1018410

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (CID 108878706) is 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is Cc1cc(I)ccc1NC(=O)NC(C)Oc1ccccc1C(C)C.
What is the InChIKey of 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is MFDAWBSEBOPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O2/c1-12(2)16-7-5-6-8-18(16)24-14(4)21-19(23)22-17-10-9-15(20)11-13(17)3/h5-12,14H,1-4H3,(H2,21,22,23).
What are the key properties of 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 438.31 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108878706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).