1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea

C13H16FN3O2 — CID 110469918

IUPAC1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
SMILESNC(=O)NC(=O)NC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C13H16FN3O2/c14-10-5-3-4-9(8-10)13(6-1-2-7-13)17-12(19)16-11(15)18/h3-5,8H,1-2,6-7H2,(H4,15,16,17,18,19)
InChIKeyASLPDOUAJBPZDO-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.97
Rot. Bonds2

About 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea

1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea (PubChem CID 110469918) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
PubChem CID110469918
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
SMILESNC(=O)NC(=O)NC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C13H16FN3O2/c14-10-5-3-4-9(8-10)13(6-1-2-7-13)17-12(19)16-11(15)18/h3-5,8H,1-2,6-7H2,(H4,15,16,17,18,19)
InChIKeyASLPDOUAJBPZDO-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46963776
N-[1-(3-fluorophenyl)cyclopropyl]piperidine-2-carboxamide
CID 110482396
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea?
The IUPAC name of 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea (CID 110469918) is 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea.
What is the SMILES notation for 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea?
The canonical SMILES for 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea is NC(=O)NC(=O)NC1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea?
The InChIKey is ASLPDOUAJBPZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-5-3-4-9(8-10)13(6-1-2-7-13)17-12(19)16-11(15)18/h3-5,8H,1-2,6-7H2,(H4,15,16,17,18,19).
What are the key properties of 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea?
1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea has a molecular weight of 265.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea is sourced from PubChem (CID 110469918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).