1-(cyclopropylmethyl)-3-(4-iodophenyl)urea

C11H13IN2O — CID 47032047

IUPAC1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
SMILESO=C(NCC1CC1)Nc1ccc(I)cc1
InChIInChI=1S/C11H13IN2O/c12-9-3-5-10(6-4-9)14-11(15)13-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14,15)
InChIKeyMUASGWOAZBMLJB-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.82
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea

1-(cyclopropylmethyl)-3-(4-iodophenyl)urea (PubChem CID 47032047) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
PubChem CID47032047
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Name1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
SMILESO=C(NCC1CC1)Nc1ccc(I)cc1
InChIInChI=1S/C11H13IN2O/c12-9-3-5-10(6-4-9)14-11(15)13-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14,15)
InChIKeyMUASGWOAZBMLJB-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
3-[4-(cyclopropylmethylcarbamoylamino)phenyl]prop-2-enoic acid
CID 61182833
1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea
CID 117235800
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-[[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]methyl]-3-(4-iodophenyl)urea
CID 40538203
2-[(4-iodophenyl)carbamoylamino]acetic acid
CID 43445581
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea (CID 47032047) is 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea is O=C(NCC1CC1)Nc1ccc(I)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea?
The InChIKey is MUASGWOAZBMLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O/c12-9-3-5-10(6-4-9)14-11(15)13-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14,15).
What are the key properties of 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea?
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea has a molecular weight of 316.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(4-iodophenyl)urea is sourced from PubChem (CID 47032047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).