1-(3-chlorophenyl)-3-undecylurea

C18H29ClN2O — CID 4294975

IUPAC1-(3-chlorophenyl)-3-undecylurea
SMILESCCCCCCCCCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2O/c1-2-3-4-5-6-7-8-9-10-14-20-18(22)21-17-13-11-12-16(19)15-17/h11-13,15H,2-10,14H2,1H3,(H2,20,21,22)
InChIKeyDGUQHZNZWZXKNB-UHFFFAOYSA-N
MW324.90 g/mol
LogP5.99
Rot. Bonds11

About 1-(3-chlorophenyl)-3-undecylurea

1-(3-chlorophenyl)-3-undecylurea (PubChem CID 4294975) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-undecylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-undecylurea
PubChem CID4294975
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name1-(3-chlorophenyl)-3-undecylurea
SMILESCCCCCCCCCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2O/c1-2-3-4-5-6-7-8-9-10-14-20-18(22)21-17-13-11-12-16(19)15-17/h11-13,15H,2-10,14H2,1H3,(H2,20,21,22)
InChIKeyDGUQHZNZWZXKNB-UHFFFAOYSA-N
XLogP5.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.90
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-dodecyl-3-phenylurea
CID 3697946
1-(3-chlorophenyl)-3-[(4S)-4-[[(3-chlorophenyl)carbamoylamino]methyl]-4-ethyloctyl]urea
CID 27255107
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
3-(pentylcarbamoylamino)benzamide
CID 47033052
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
1-(3-chlorophenyl)-3-[2-(oxomethylamino)ethyl]urea;pentane;yttrium
CID 59168747
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-undecylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-undecylurea (CID 4294975) is 1-(3-chlorophenyl)-3-undecylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-undecylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-undecylurea is CCCCCCCCCCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-undecylurea?
The InChIKey is DGUQHZNZWZXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-2-3-4-5-6-7-8-9-10-14-20-18(22)21-17-13-11-12-16(19)15-17/h11-13,15H,2-10,14H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-chlorophenyl)-3-undecylurea?
1-(3-chlorophenyl)-3-undecylurea has a molecular weight of 324.90 g/mol, XLogP of 5.99, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-undecylurea is sourced from PubChem (CID 4294975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).