3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid

C21H17FN2O4 — CID 113083527

IUPAC3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid
SMILESO=C(NCCNC(=O)c1cc2ccccc2cc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O4/c22-16-7-5-13(6-8-16)19(25)23-9-10-24-20(26)17-11-14-3-1-2-4-15(14)12-18(17)21(27)28/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyHSVRDZAOSOLNHT-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.84
Rot. Bonds6

About 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid

3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid (PubChem CID 113083527) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid
PubChem CID113083527
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid
SMILESO=C(NCCNC(=O)c1cc2ccccc2cc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O4/c22-16-7-5-13(6-8-16)19(25)23-9-10-24-20(26)17-11-14-3-1-2-4-15(14)12-18(17)21(27)28/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyHSVRDZAOSOLNHT-UHFFFAOYSA-N
XLogP2.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
CID 113083556
4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 99773991
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid (CID 113083527) is 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid is O=C(NCCNC(=O)c1cc2ccccc2cc1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid?
The InChIKey is HSVRDZAOSOLNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-16-7-5-13(6-8-16)19(25)23-9-10-24-20(26)17-11-14-3-1-2-4-15(14)12-18(17)21(27)28/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid?
3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid has a molecular weight of 380.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 113083527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).