2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid

C25H23ClN2O3 — CID 118467814

IUPAC2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
SMILESO=C(O)CC1CCc2cc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ccc2C1
InChIInChI=1S/C25H23ClN2O3/c26-21-2-1-3-23(15-21)28-25(31)27-22-10-8-17(9-11-22)19-7-6-18-12-16(13-24(29)30)4-5-20(18)14-19/h1-3,6-11,14-16H,4-5,12-13H2,(H,29,30)(H2,27,28,31)
InChIKeyHDSINPNWRKJGBS-UHFFFAOYSA-N
MW434.92 g/mol
LogP6.23
Rot. Bonds5

About 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid

2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid (PubChem CID 118467814) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
PubChem CID118467814
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
SMILESO=C(O)CC1CCc2cc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ccc2C1
InChIInChI=1S/C25H23ClN2O3/c26-21-2-1-3-23(15-21)28-25(31)27-22-10-8-17(9-11-22)19-7-6-18-12-16(13-24(29)30)4-5-20(18)14-19/h1-3,6-11,14-16H,4-5,12-13H2,(H,29,30)(H2,27,28,31)
InChIKeyHDSINPNWRKJGBS-UHFFFAOYSA-N
XLogP6.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid with MolForge

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Related Compounds

2-[6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 118467823
2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-2-methylpropanoic acid
CID 71062675
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
2-[6-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 71062802
3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 70037789
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
CID 168763640
CID 168763640
1-[6-[[4-(3-cyanophenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylurea
CID 70036557
2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69240310

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid (CID 118467814) is 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid is O=C(O)CC1CCc2cc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ccc2C1.
What is the InChIKey of 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
The InChIKey is HDSINPNWRKJGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c26-21-2-1-3-23(15-21)28-25(31)27-22-10-8-17(9-11-22)19-7-6-18-12-16(13-24(29)30)4-5-20(18)14-19/h1-3,6-11,14-16H,4-5,12-13H2,(H,29,30)(H2,27,28,31).
What are the key properties of 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid?
2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid has a molecular weight of 434.92 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 118467814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).