3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid

C14H17BrN2O4 — CID 63113766

IUPAC3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
SMILESCOC1CCCC1NC(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C14H17BrN2O4/c1-21-11-7-3-6-10(11)16-14(20)17-12-8(13(18)19)4-2-5-9(12)15/h2,4-5,10-11H,3,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUWORPJBEPCYULO-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.84
Rot. Bonds4

About 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid

3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid (PubChem CID 63113766) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
PubChem CID63113766
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
SMILESCOC1CCCC1NC(=O)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C14H17BrN2O4/c1-21-11-7-3-6-10(11)16-14(20)17-12-8(13(18)19)4-2-5-9(12)15/h2,4-5,10-11H,3,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUWORPJBEPCYULO-UHFFFAOYSA-N
XLogP2.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 63113628
3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
CID 64923038
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 62088259
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
3-bromo-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865496
3-bromo-2-(carbamothioylamino)benzoic acid
CID 169356004
4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid
CID 122016522
3-bromo-2-(4-methoxybutylcarbamoylamino)benzoic acid
CID 63113662
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
CID 62087821
2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285471

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid (CID 63113766) is 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid is COC1CCCC1NC(=O)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is UWORPJBEPCYULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-21-11-7-3-6-10(11)16-14(20)17-12-8(13(18)19)4-2-5-9(12)15/h2,4-5,10-11H,3,6-7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 357.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63113766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).