1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea

C14H19BrN2O — CID 110775638

IUPAC1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
SMILESO=C(NCCc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-7-5-11(6-8-12)9-10-16-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,16,17,18)
InChIKeyDZHOMGKRSQZJLA-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea

1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea (PubChem CID 110775638) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
PubChem CID110775638
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
SMILESO=C(NCCc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H19BrN2O/c15-12-7-5-11(6-8-12)9-10-16-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,16,17,18)
InChIKeyDZHOMGKRSQZJLA-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 108887929
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 134057080
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
CID 110775706
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 108902262
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea (CID 110775638) is 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea is O=C(NCCc1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea?
The InChIKey is DZHOMGKRSQZJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-7-5-11(6-8-12)9-10-16-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,16,17,18).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea?
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea has a molecular weight of 311.22 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea is sourced from PubChem (CID 110775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).