1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

C15H21ClN2O3 — CID 110936464

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-11(12-3-2-4-13(16)9-12)18-14(19)17-10-15(20)5-7-21-8-6-15/h2-4,9,11,20H,5-8,10H2,1H3,(H2,17,18,19)
InChIKeyRDIDOXHUXHXDIZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.24
Rot. Bonds4

About 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936464) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936464
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-11(12-3-2-4-13(16)9-12)18-14(19)17-10-15(20)5-7-21-8-6-15/h2-4,9,11,20H,5-8,10H2,1H3,(H2,17,18,19)
InChIKeyRDIDOXHUXHXDIZ-UHFFFAOYSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
1-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
CID 111319647
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936464) is 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is CC(NC(=O)NCC1(O)CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is RDIDOXHUXHXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(12-3-2-4-13(16)9-12)18-14(19)17-10-15(20)5-7-21-8-6-15/h2-4,9,11,20H,5-8,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 312.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).