1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea

C14H19BrN2O — CID 108902673

IUPAC1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
SMILESO=C(NCc1ccccc1Br)NCC1CCCC1
InChIInChI=1S/C14H19BrN2O/c15-13-8-4-3-7-12(13)10-17-14(18)16-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,16,17,18)
InChIKeyPKCZFAQOLWQMDK-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea

1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea (PubChem CID 108902673) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
PubChem CID108902673
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
SMILESO=C(NCc1ccccc1Br)NCC1CCCC1
InChIInChI=1S/C14H19BrN2O/c15-13-8-4-3-7-12(13)10-17-14(18)16-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,16,17,18)
InChIKeyPKCZFAQOLWQMDK-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-3-cyclobutylurea
CID 115618018
2-[(2-bromophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817497
1-[(2-bromophenyl)methyl]-3-prop-2-enylurea
CID 108897925
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
CID 108903046
methyl 1-[(2-bromophenyl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184298
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea (CID 108902673) is 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea is O=C(NCc1ccccc1Br)NCC1CCCC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea?
The InChIKey is PKCZFAQOLWQMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-8-4-3-7-12(13)10-17-14(18)16-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,16,17,18).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea?
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea has a molecular weight of 311.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea is sourced from PubChem (CID 108902673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).