1-(2-chloroethyl)-3-(4-decylphenyl)urea

C19H31ClN2O — CID 10382534

IUPAC1-(2-chloroethyl)-3-(4-decylphenyl)urea
SMILESCCCCCCCCCCc1ccc(NC(=O)NCCCl)cc1
InChIInChI=1S/C19H31ClN2O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-19(23)21-16-15-20/h11-14H,2-10,15-16H2,1H3,(H2,21,22,23)
InChIKeyKUIVFTUOUISBFI-UHFFFAOYSA-N
MW338.92 g/mol
LogP5.73
Rot. Bonds12

About 1-(2-chloroethyl)-3-(4-decylphenyl)urea

1-(2-chloroethyl)-3-(4-decylphenyl)urea (PubChem CID 10382534) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(4-decylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(4-decylphenyl)urea
PubChem CID10382534
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name1-(2-chloroethyl)-3-(4-decylphenyl)urea
SMILESCCCCCCCCCCc1ccc(NC(=O)NCCCl)cc1
InChIInChI=1S/C19H31ClN2O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-19(23)21-16-15-20/h11-14H,2-10,15-16H2,1H3,(H2,21,22,23)
InChIKeyKUIVFTUOUISBFI-UHFFFAOYSA-N
XLogP5.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.92
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloroethyl)-3-(4-decylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(2-bromoethyl)-3-(4-heptylphenyl)urea
CID 86013146
4-chloro-N-(4-heptylphenyl)-3-oxobutanamide
CID 86085625
1-[(2R)-1-chloropropan-2-yl]-3-(4-heptylphenyl)urea
CID 12985368
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
3-[4-(butylcarbamoylamino)phenyl]propanamide
CID 91054834
N-(4-heptylphenyl)heptanamide
CID 101077737
1-(4-octylphenyl)-3-(2,4,6-trichlorophenyl)urea
CID 15020210
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(4-decylphenyl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(4-decylphenyl)urea (CID 10382534) is 1-(2-chloroethyl)-3-(4-decylphenyl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(4-decylphenyl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(4-decylphenyl)urea is CCCCCCCCCCc1ccc(NC(=O)NCCCl)cc1.
What is the InChIKey of 1-(2-chloroethyl)-3-(4-decylphenyl)urea?
The InChIKey is KUIVFTUOUISBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-19(23)21-16-15-20/h11-14H,2-10,15-16H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-chloroethyl)-3-(4-decylphenyl)urea?
1-(2-chloroethyl)-3-(4-decylphenyl)urea has a molecular weight of 338.92 g/mol, XLogP of 5.73, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(4-decylphenyl)urea is sourced from PubChem (CID 10382534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).