3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea

C12H17ClN2O2 — CID 94777007

IUPAC3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
SMILESCCN(C[C@@H](C)O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-3-15(8-9(2)16)12(17)14-11-6-4-10(13)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,14,17)/t9-/m1/s1
InChIKeyFGGWEGMXIOQJRR-SECBINFHSA-N
MW256.73 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea

3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea (PubChem CID 94777007) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
PubChem CID94777007
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
SMILESCCN(C[C@@H](C)O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-3-15(8-9(2)16)12(17)14-11-6-4-10(13)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,14,17)/t9-/m1/s1
InChIKeyFGGWEGMXIOQJRR-SECBINFHSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
3-(4-chlorophenyl)-1-ethyl-1-prop-2-ynylurea
CID 78969978
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
CID 54900426
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
CID 79480744
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea (CID 94777007) is 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea is CCN(C[C@@H](C)O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea?
The InChIKey is FGGWEGMXIOQJRR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-15(8-9(2)16)12(17)14-11-6-4-10(13)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,14,17)/t9-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea?
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea has a molecular weight of 256.73 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 94777007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).