1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea

C18H22ClN3O — CID 11647475

IUPAC1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-14-6-4-5-7-17(14)20-18(23)22(13-12-21(2)3)16-10-8-15(19)9-11-16/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyNJPYXSJYBOLGSW-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.25
Rot. Bonds5

About 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea

1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea (PubChem CID 11647475) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
PubChem CID11647475
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-14-6-4-5-7-17(14)20-18(23)22(13-12-21(2)3)16-10-8-15(19)9-11-16/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyNJPYXSJYBOLGSW-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea
CID 682079
2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
CID 42705644
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
CID 51062904

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea (CID 11647475) is 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(CCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is NJPYXSJYBOLGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-14-6-4-5-7-17(14)20-18(23)22(13-12-21(2)3)16-10-8-15(19)9-11-16/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea?
1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 331.85 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 11647475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).