7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide

C20H17ClN2O3 — CID 90876175

IUPAC7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
SMILESCC(NC(=O)c1ccc2ccc(C(=O)NO)cc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c1-12(13-6-8-18(21)9-7-13)22-19(24)15-4-2-14-3-5-16(20(25)23-26)11-17(14)10-15/h2-12,26H,1H3,(H,22,24)(H,23,25)
InChIKeyUHRFPWATCJVNPJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.10
Rot. Bonds4

About 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide

7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide (PubChem CID 90876175) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
PubChem CID90876175
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
SMILESCC(NC(=O)c1ccc2ccc(C(=O)NO)cc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c1-12(13-6-8-18(21)9-7-13)22-19(24)15-4-2-14-3-5-16(20(25)23-26)11-17(14)10-15/h2-12,26H,1H3,(H,22,24)(H,23,25)
InChIKeyUHRFPWATCJVNPJ-UHFFFAOYSA-N
XLogP4.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
CID 103221331
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065

Frequently Asked Questions

What is the IUPAC name of 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
The IUPAC name of 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide (CID 90876175) is 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
The canonical SMILES for 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide is CC(NC(=O)c1ccc2ccc(C(=O)NO)cc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
The InChIKey is UHRFPWATCJVNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12(13-6-8-18(21)9-7-13)22-19(24)15-4-2-14-3-5-16(20(25)23-26)11-17(14)10-15/h2-12,26H,1H3,(H,22,24)(H,23,25).
What are the key properties of 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 90876175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).