1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea

C14H21ClN2O — CID 115618579

IUPAC1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
SMILESCCN(CC)C(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-5-17(6-2)14(18)16(4)11(3)12-7-9-13(15)10-8-12/h7-11H,5-6H2,1-4H3
InChIKeyVNINVHLFOFKMPN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.79
Rot. Bonds4

About 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea

1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea (PubChem CID 115618579) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
PubChem CID115618579
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
SMILESCCN(CC)C(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-5-17(6-2)14(18)16(4)11(3)12-7-9-13(15)10-8-12/h7-11H,5-6H2,1-4H3
InChIKeyVNINVHLFOFKMPN-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Lozilurea
CID 68907
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
1-[(4-Chlorophenyl)methyl]-1-cyclopentylurea
CID 67797498
N-(4-chlorobenzyl)urea
CID 1484508
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851906
[(2-Chlorophenyl)-(4-chlorophenyl)methyl]urea
CID 2852174
1-[(4-Chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 822893
1-[1-(4-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10762432

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea (CID 115618579) is 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea is CCN(CC)C(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea?
The InChIKey is VNINVHLFOFKMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-17(6-2)14(18)16(4)11(3)12-7-9-13(15)10-8-12/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea?
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea has a molecular weight of 268.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea is sourced from PubChem (CID 115618579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).