1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea

C12H17ClN2O2 — CID 110894209

IUPAC1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
SMILESCCC(NC(=O)NCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-2-11(15-12(17)14-6-7-16)9-4-3-5-10(13)8-9/h3-5,8,11,16H,2,6-7H2,1H3,(H2,14,15,17)
InChIKeyDUPGGYQVOYFTIM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.08
Rot. Bonds5

About 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea

1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894209) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
PubChem CID110894209
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
SMILESCCC(NC(=O)NCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-2-11(15-12(17)14-6-7-16)9-4-3-5-10(13)8-9/h3-5,8,11,16H,2,6-7H2,1H3,(H2,14,15,17)
InChIKeyDUPGGYQVOYFTIM-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
1-[1-(3-chlorophenyl)propyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990564
N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833393
(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
CID 60553202
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55582086
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea (CID 110894209) is 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea is CCC(NC(=O)NCCO)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea?
The InChIKey is DUPGGYQVOYFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-11(15-12(17)14-6-7-16)9-4-3-5-10(13)8-9/h3-5,8,11,16H,2,6-7H2,1H3,(H2,14,15,17).
What are the key properties of 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea?
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea has a molecular weight of 256.73 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).