1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea

C14H20ClN3O2 — CID 47103076

IUPAC1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C14H20ClN3O2/c1-2-5-16-14(19)17-12-10-11(15)3-4-13(12)18-6-8-20-9-7-18/h3-4,10H,2,5-9H2,1H3,(H2,16,17,19)
InChIKeyWAZNBHDNFREABC-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.71
Rot. Bonds4

About 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea

1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea (PubChem CID 47103076) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
PubChem CID47103076
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C14H20ClN3O2/c1-2-5-16-14(19)17-12-10-11(15)3-4-13(12)18-6-8-20-9-7-18/h3-4,10H,2,5-9H2,1H3,(H2,16,17,19)
InChIKeyWAZNBHDNFREABC-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
CID 55695493
3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
CID 55770674
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 4287113
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 3961026
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55695180
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea?
The IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea (CID 47103076) is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea.
What is the SMILES notation for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea?
The canonical SMILES for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea?
The InChIKey is WAZNBHDNFREABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-5-16-14(19)17-12-10-11(15)3-4-13(12)18-6-8-20-9-7-18/h3-4,10H,2,5-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea?
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea has a molecular weight of 297.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea is sourced from PubChem (CID 47103076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).