1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea

C22H25Cl4N3O — CID 23567335

IUPAC1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCC(CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl4N3O/c23-18-7-5-14(11-20(18)25)15(9-10-27-16-3-1-2-4-16)13-28-22(30)29-17-6-8-19(24)21(26)12-17/h5-8,11-12,15-16,27H,1-4,9-10,13H2,(H2,28,29,30)
InChIKeyZZFVZNFRWJODHV-UHFFFAOYSA-N
MW489.27 g/mol
LogP7.13
Rot. Bonds8

About 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea

1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 23567335) has the molecular formula C22H25Cl4N3O and a molecular weight of 489.27 g/mol. Its IUPAC name is 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea
PubChem CID23567335
Molecular FormulaC22H25Cl4N3O
Molecular Weight489.27 g/mol
Exact Mass487.08
IUPAC Name1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCC(CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl4N3O/c23-18-7-5-14(11-20(18)25)15(9-10-27-16-3-1-2-4-16)13-28-22(30)29-17-6-8-19(24)21(26)12-17/h5-8,11-12,15-16,27H,1-4,9-10,13H2,(H2,28,29,30)
InChIKeyZZFVZNFRWJODHV-UHFFFAOYSA-N
XLogP7.13
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.27
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea with MolForge

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]urea
CID 23567516
1-[4-(cyclopentylamino)-2-[4-(3,4-dichlorophenyl)phenyl]butyl]-3-(3,5-dichlorophenyl)urea
CID 23567347
1-[4-(cyclobutylamino)-2-(3,4-dichlorophenyl)butyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 23567529
N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
CID 22177260
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
CID 23567564
1-[2-(3,4-dichlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3-(3,4-difluorophenyl)urea
CID 23567276
1-[2-(3,4-dichlorophenyl)-4-[2-(4-hydroxyphenyl)ethylamino]butyl]-3-(3,4-difluorophenyl)urea
CID 23567265
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea (CID 23567335) is 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea is O=C(NCC(CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is ZZFVZNFRWJODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl4N3O/c23-18-7-5-14(11-20(18)25)15(9-10-27-16-3-1-2-4-16)13-28-22(30)29-17-6-8-19(24)21(26)12-17/h5-8,11-12,15-16,27H,1-4,9-10,13H2,(H2,28,29,30).
What are the key properties of 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea?
1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 489.27 g/mol, XLogP of 7.13, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 23567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).