1-[1-(3-chlorophenyl)ethyl]-3-methylurea

C10H13ClN2O — CID 47127326

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-7(13-10(14)12-2)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyACJSEZDNNIZYNV-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.33
Rot. Bonds2

About 1-[1-(3-chlorophenyl)ethyl]-3-methylurea

1-[1-(3-chlorophenyl)ethyl]-3-methylurea (PubChem CID 47127326) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-methylurea
PubChem CID47127326
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-7(13-10(14)12-2)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyACJSEZDNNIZYNV-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 51944325
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 51944133
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-methylurea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-methylurea (CID 47127326) is 1-[1-(3-chlorophenyl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-methylurea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-methylurea is CNC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-methylurea?
The InChIKey is ACJSEZDNNIZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(13-10(14)12-2)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-methylurea?
1-[1-(3-chlorophenyl)ethyl]-3-methylurea has a molecular weight of 212.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-methylurea is sourced from PubChem (CID 47127326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).