1-benzyl-1-chlorourea

C8H9ClN2O — CID 23442758

IUPAC1-benzyl-1-chlorourea
SMILESNC(=O)N(Cl)Cc1ccccc1
InChIInChI=1S/C8H9ClN2O/c9-11(8(10)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyKGCVZYKAZLNSOH-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.72
Rot. Bonds2

About 1-benzyl-1-chlorourea

1-benzyl-1-chlorourea (PubChem CID 23442758) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-benzyl-1-chlorourea.

Molecular Properties

Compound Name1-benzyl-1-chlorourea
PubChem CID23442758
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-benzyl-1-chlorourea
SMILESNC(=O)N(Cl)Cc1ccccc1
InChIInChI=1S/C8H9ClN2O/c9-11(8(10)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyKGCVZYKAZLNSOH-UHFFFAOYSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl(chloro)carbamic acid
CID 54007228
carbamothioic S-acid;dibenzylcarbamothioic S-acid
CID 87091037
amino(benzyl)carbamic acid
CID 18704089
2-amino-N,N-dibenzylacetamide
CID 11107897
1-benzyl-1-(2-bromophenyl)urea
CID 102405499
N',N'-dibenzylbutanediamide
CID 101024490
1,1-dibenzylthiourea
CID 3517261
1-benzyl-1-phenylmethoxyurea
CID 22444379
1-(4-aminophenyl)-1-benzylurea
CID 154248103
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-chlorourea?
The IUPAC name of 1-benzyl-1-chlorourea (CID 23442758) is 1-benzyl-1-chlorourea.
What is the SMILES notation for 1-benzyl-1-chlorourea?
The canonical SMILES for 1-benzyl-1-chlorourea is NC(=O)N(Cl)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-chlorourea?
The InChIKey is KGCVZYKAZLNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-11(8(10)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12).
What are the key properties of 1-benzyl-1-chlorourea?
1-benzyl-1-chlorourea has a molecular weight of 184.63 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-chlorourea is sourced from PubChem (CID 23442758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).