1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H16BrFN2O3 — CID 61202086

IUPAC1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cc(Br)ccc1F)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H16BrFN2O3/c15-9-4-5-10(16)11(8-9)17-13(21)18-14(12(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,19,20)(H2,17,18,21)
InChIKeyOIKNRGCVVCWVIG-UHFFFAOYSA-N
MW359.20 g/mol
LogP3.50
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61202086) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61202086
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cc(Br)ccc1F)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H16BrFN2O3/c15-9-4-5-10(16)11(8-9)17-13(21)18-14(12(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,19,20)(H2,17,18,21)
InChIKeyOIKNRGCVVCWVIG-UHFFFAOYSA-N
XLogP3.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
3-[(5-bromo-2-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64891642
1-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854347
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 81280606
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(5-bromo-2-cyanophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107799799
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 113364175

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61202086) is 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cc(Br)ccc1F)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OIKNRGCVVCWVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c15-9-4-5-10(16)11(8-9)17-13(21)18-14(12(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 359.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61202086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).