1-(2-chloropropyl)-3-phenylurea

C10H13ClN2O — CID 70181020

IUPAC1-(2-chloropropyl)-3-phenylurea
SMILESCC(Cl)CNC(=O)Nc1ccccc1
InChIInChI=1S/C10H13ClN2O/c1-8(11)7-12-10(14)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13,14)
InChIKeyWRXCNSPURYTGJT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.44
Rot. Bonds3

About 1-(2-chloropropyl)-3-phenylurea

1-(2-chloropropyl)-3-phenylurea (PubChem CID 70181020) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(2-chloropropyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-chloropropyl)-3-phenylurea
PubChem CID70181020
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-(2-chloropropyl)-3-phenylurea
SMILESCC(Cl)CNC(=O)Nc1ccccc1
InChIInChI=1S/C10H13ClN2O/c1-8(11)7-12-10(14)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13,14)
InChIKeyWRXCNSPURYTGJT-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylbutyl)-3-phenylurea
CID 54410955
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
CID 104593873
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
CID 153341809
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
CID 173411777
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropyl)-3-phenylurea?
The IUPAC name of 1-(2-chloropropyl)-3-phenylurea (CID 70181020) is 1-(2-chloropropyl)-3-phenylurea.
What is the SMILES notation for 1-(2-chloropropyl)-3-phenylurea?
The canonical SMILES for 1-(2-chloropropyl)-3-phenylurea is CC(Cl)CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-chloropropyl)-3-phenylurea?
The InChIKey is WRXCNSPURYTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(11)7-12-10(14)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2-chloropropyl)-3-phenylurea?
1-(2-chloropropyl)-3-phenylurea has a molecular weight of 212.68 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropyl)-3-phenylurea is sourced from PubChem (CID 70181020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).