1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea

C17H19ClN2O3 — CID 111117109

IUPAC1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O3/c18-14-7-5-13(6-8-14)12-23-16-4-1-3-15(11-16)20-17(22)19-9-2-10-21/h1,3-8,11,21H,2,9-10,12H2,(H2,19,20,22)
InChIKeyVRNZKSIJRWXXTA-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.42
Rot. Bonds7

About 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea

1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea (PubChem CID 111117109) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea
PubChem CID111117109
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O3/c18-14-7-5-13(6-8-14)12-23-16-4-1-3-15(11-16)20-17(22)19-9-2-10-21/h1,3-8,11,21H,2,9-10,12H2,(H2,19,20,22)
InChIKeyVRNZKSIJRWXXTA-UHFFFAOYSA-N
XLogP3.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010428
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168
1-[3-(4-chlorophenyl)propyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100673188
1-(3-hydroxypropyl)-3-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]urea
CID 23642222
N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71493009
(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95765039

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea (CID 111117109) is 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea?
The InChIKey is VRNZKSIJRWXXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-14-7-5-13(6-8-14)12-23-16-4-1-3-15(11-16)20-17(22)19-9-2-10-21/h1,3-8,11,21H,2,9-10,12H2,(H2,19,20,22).
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea?
1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea has a molecular weight of 334.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).