1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea

C19H26Cl2N2O — CID 5047635

IUPAC1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H26Cl2N2O/c20-14-11-12-18(17(21)13-14)22-19(24)23(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,22,24)
InChIKeyOQWFZQCVKCLLOC-UHFFFAOYSA-N
MW369.34 g/mol
LogP6.49
Rot. Bonds3

About 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea

1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea (PubChem CID 5047635) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea
PubChem CID5047635
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H26Cl2N2O/c20-14-11-12-18(17(21)13-14)22-19(24)23(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,22,24)
InChIKeyOQWFZQCVKCLLOC-UHFFFAOYSA-N
XLogP6.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
3-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108989449
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
CID 118985035
N-cyclopropyl-N'-(2,4-dichlorophenyl)oxamide
CID 108502911
2-(cyclohexylcarbamoylamino)-N-(2,4-dichlorophenyl)acetamide
CID 113001281
2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
CID 143228877

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea (CID 5047635) is 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea?
The InChIKey is OQWFZQCVKCLLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O/c20-14-11-12-18(17(21)13-14)22-19(24)23(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H,22,24).
What are the key properties of 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea?
1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea has a molecular weight of 369.34 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 5047635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).