1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea

C14H18Cl2N2O2 — CID 17466807

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCCCOCC1CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-5-4-11(8-13(12)16)18-14(19)17-6-1-7-20-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H2,17,18,19)
InChIKeyZRABSWDMHVBCCD-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.93
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea

1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 17466807) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
PubChem CID17466807
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCCCOCC1CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-5-4-11(8-13(12)16)18-14(19)17-6-1-7-20-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H2,17,18,19)
InChIKeyZRABSWDMHVBCCD-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 5202458
1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
CID 47032630
1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044694
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
1-(3,4-dichlorophenyl)-3-hex-5-ynylurea
CID 103757513
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea (CID 17466807) is 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea is O=C(NCCCOCC1CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is ZRABSWDMHVBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-12-5-4-11(8-13(12)16)18-14(19)17-6-1-7-20-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H2,17,18,19).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea?
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 317.22 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 17466807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).