2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid

C14H17BrN2O3 — CID 64702006

IUPAC2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H17BrN2O3/c15-10-3-5-11(6-4-10)16-13(20)17-14(9-12(18)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,18,19)(H2,16,17,20)
InChIKeyXEIZCTLKNDGPQN-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 64702006) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID64702006
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H17BrN2O3/c15-10-3-5-11(6-4-10)16-13(20)17-14(9-12(18)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,18,19)(H2,16,17,20)
InChIKeyXEIZCTLKNDGPQN-UHFFFAOYSA-N
XLogP3.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
1-(4-bromophenyl)-3-[4-(hydroxymethyl)oxan-4-yl]urea
CID 139532400
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 103480776
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid (CID 64702006) is 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)Nc2ccc(Br)cc2)CCCC1.
What is the InChIKey of 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is XEIZCTLKNDGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-10-3-5-11(6-4-10)16-13(20)17-14(9-12(18)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 341.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).