1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea

C14H21ClN2O2 — CID 103842379

IUPAC1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
SMILESCCC(CC)(CO)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-14(4-2,10-18)9-16-13(19)17-12-7-5-6-11(15)8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyHQNGGYIZBKLOBC-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.26
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea

1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea (PubChem CID 103842379) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
PubChem CID103842379
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
SMILESCCC(CC)(CO)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-14(4-2,10-18)9-16-13(19)17-12-7-5-6-11(15)8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyHQNGGYIZBKLOBC-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(4S)-4-[[(3-chlorophenyl)carbamoylamino]methyl]-4-ethyloctyl]urea
CID 27255107
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
CID 112504926
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
1-(2,2-diethyl-4-hydroxybutyl)-3-[3-[(dimethylamino)methyl]phenyl]urea
CID 111499054
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea (CID 103842379) is 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea is CCC(CC)(CO)CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
The InChIKey is HQNGGYIZBKLOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-14(4-2,10-18)9-16-13(19)17-12-7-5-6-11(15)8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea has a molecular weight of 284.79 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea is sourced from PubChem (CID 103842379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).