1-(5-chloro-2-phenoxyphenyl)-3-propylurea

C16H17ClN2O2 — CID 100748519

IUPAC1-(5-chloro-2-phenoxyphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-2-10-18-16(20)19-14-11-12(17)8-9-15(14)21-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H2,18,19,20)
InChIKeyYNLXFEFPKUUYHK-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.66
Rot. Bonds5

About 1-(5-chloro-2-phenoxyphenyl)-3-propylurea

1-(5-chloro-2-phenoxyphenyl)-3-propylurea (PubChem CID 100748519) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(5-chloro-2-phenoxyphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(5-chloro-2-phenoxyphenyl)-3-propylurea
PubChem CID100748519
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(5-chloro-2-phenoxyphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-2-10-18-16(20)19-14-11-12(17)8-9-15(14)21-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H2,18,19,20)
InChIKeyYNLXFEFPKUUYHK-UHFFFAOYSA-N
XLogP4.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 604054
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N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
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(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
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(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173306
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
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N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
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CID 92685331

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenoxyphenyl)-3-propylurea?
The IUPAC name of 1-(5-chloro-2-phenoxyphenyl)-3-propylurea (CID 100748519) is 1-(5-chloro-2-phenoxyphenyl)-3-propylurea.
What is the SMILES notation for 1-(5-chloro-2-phenoxyphenyl)-3-propylurea?
The canonical SMILES for 1-(5-chloro-2-phenoxyphenyl)-3-propylurea is CCCNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-phenoxyphenyl)-3-propylurea?
The InChIKey is YNLXFEFPKUUYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-10-18-16(20)19-14-11-12(17)8-9-15(14)21-13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-phenoxyphenyl)-3-propylurea?
1-(5-chloro-2-phenoxyphenyl)-3-propylurea has a molecular weight of 304.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenoxyphenyl)-3-propylurea is sourced from PubChem (CID 100748519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).