[7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea

C15H22Cl2N4O3 — CID 139880242

IUPAC[7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea
SMILESCCC(CC(CCNC(N)=O)Oc1cc(Cl)cc(Cl)c1)NC(N)=O
InChIInChI=1S/C15H22Cl2N4O3/c1-2-11(21-15(19)23)8-12(3-4-20-14(18)22)24-13-6-9(16)5-10(17)7-13/h5-7,11-12H,2-4,8H2,1H3,(H3,18,20,22)(H3,19,21,23)
InChIKeyLIWPXQGARCKWAQ-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.64
Rot. Bonds9

About [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea

[7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea (PubChem CID 139880242) has the molecular formula C15H22Cl2N4O3 and a molecular weight of 377.27 g/mol. Its IUPAC name is [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea.

Molecular Properties

Compound Name[7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea
PubChem CID139880242
Molecular FormulaC15H22Cl2N4O3
Molecular Weight377.27 g/mol
Exact Mass376.11
IUPAC Name[7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea
SMILESCCC(CC(CCNC(N)=O)Oc1cc(Cl)cc(Cl)c1)NC(N)=O
InChIInChI=1S/C15H22Cl2N4O3/c1-2-11(21-15(19)23)8-12(3-4-20-14(18)22)24-13-6-9(16)5-10(17)7-13/h5-7,11-12H,2-4,8H2,1H3,(H3,18,20,22)(H3,19,21,23)
InChIKeyLIWPXQGARCKWAQ-UHFFFAOYSA-N
XLogP2.64
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-bis(carbamoylamino)heptan-3-ylurea
CID 154207016
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
2-(3,5-dichlorophenoxy)butanoyl chloride
CID 13239466
N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
CID 63498433
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
1-(carbamoylamino)octan-3-ylurea
CID 154304190
hexan-3-ylurea;molecular hydrogen
CID 143768672
4-[2-(3,5-dichlorophenoxy)propanoylamino]butanoic acid
CID 119170699
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
1,6-bis(carbamoylamino)hexan-3-ylurea
CID 154154263

Frequently Asked Questions

What is the IUPAC name of [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea?
The IUPAC name of [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea (CID 139880242) is [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea.
What is the SMILES notation for [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea?
The canonical SMILES for [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea is CCC(CC(CCNC(N)=O)Oc1cc(Cl)cc(Cl)c1)NC(N)=O.
What is the InChIKey of [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea?
The InChIKey is LIWPXQGARCKWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N4O3/c1-2-11(21-15(19)23)8-12(3-4-20-14(18)22)24-13-6-9(16)5-10(17)7-13/h5-7,11-12H,2-4,8H2,1H3,(H3,18,20,22)(H3,19,21,23).
What are the key properties of [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea?
[7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea has a molecular weight of 377.27 g/mol, XLogP of 2.64, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(carbamoylamino)-5-(3,5-dichlorophenoxy)heptan-3-yl]urea is sourced from PubChem (CID 139880242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).