1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea

C11H14ClN3O3 — CID 47133922

IUPAC1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O3/c1-18-7-6-13-11(17)15-14-10(16)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyAJWUIPFLGRVYPT-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.93
Rot. Bonds4

About 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea

1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea (PubChem CID 47133922) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
PubChem CID47133922
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O3/c1-18-7-6-13-11(17)15-14-10(16)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyAJWUIPFLGRVYPT-UHFFFAOYSA-N
XLogP0.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
CID 172764619
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
CID 97211780
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea (CID 47133922) is 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea is COCCNC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea?
The InChIKey is AJWUIPFLGRVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-18-7-6-13-11(17)15-14-10(16)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea?
1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea has a molecular weight of 271.70 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47133922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).