2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid

C26H25Cl2N3O4 — CID 143228877

IUPAC2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc2ccccc2cc1NC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C26H25Cl2N3O4/c27-18-10-11-22(21(28)14-18)29-26(35)30-23-13-17-7-5-4-6-16(17)12-20(23)25(34)31(15-24(32)33)19-8-2-1-3-9-19/h4-7,10-14,19H,1-3,8-9,15H2,(H,32,33)(H2,29,30,35)
InChIKeyMUJANVAZMFHKGV-UHFFFAOYSA-N
MW514.41 g/mol
LogP6.65
Rot. Bonds6

About 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid

2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid (PubChem CID 143228877) has the molecular formula C26H25Cl2N3O4 and a molecular weight of 514.41 g/mol. Its IUPAC name is 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
PubChem CID143228877
Molecular FormulaC26H25Cl2N3O4
Molecular Weight514.41 g/mol
Exact Mass513.12
IUPAC Name2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc2ccccc2cc1NC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C26H25Cl2N3O4/c27-18-10-11-22(21(28)14-18)29-26(35)30-23-13-17-7-5-4-6-16(17)12-20(23)25(34)31(15-24(32)33)19-8-2-1-3-9-19/h4-7,10-14,19H,1-3,8-9,15H2,(H,32,33)(H2,29,30,35)
InChIKeyMUJANVAZMFHKGV-UHFFFAOYSA-N
XLogP6.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.41
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
CID 69434457
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
2-[cyclohexyl-[2-[(2,6-dimethylphenyl)carbamoylamino]-4-phenylbenzoyl]amino]acetic acid
CID 69433969
1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea
CID 5047635
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
5-chloro-N-cyclohexyl-N-ethyl-2-hydrazinylbenzamide
CID 62248307
2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
CID 60826007
2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
2-[cyclohexyl-[3-[(2,6-dichlorophenyl)carbamoylamino]-5-pyridin-4-ylthiophene-2-carbonyl]amino]acetic acid
CID 69435943
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 62174801
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 4586942

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid (CID 143228877) is 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid is O=C(O)CN(C(=O)c1cc2ccccc2cc1NC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
The InChIKey is MUJANVAZMFHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O4/c27-18-10-11-22(21(28)14-18)29-26(35)30-23-13-17-7-5-4-6-16(17)12-20(23)25(34)31(15-24(32)33)19-8-2-1-3-9-19/h4-7,10-14,19H,1-3,8-9,15H2,(H,32,33)(H2,29,30,35).
What are the key properties of 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid has a molecular weight of 514.41 g/mol, XLogP of 6.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 143228877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).