4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide

C17H16ClNO3 — CID 111860717

IUPAC4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C17H16ClNO3/c18-15-8-14(16(21)13-4-2-1-3-12(13)15)17(22)19-11-6-5-10(7-11)9-20/h1-6,8,10-11,20-21H,7,9H2,(H,19,22)/t10-,11+/m0/s1
InChIKeyRFERCZPNDRJESN-WDEREUQCSA-N
MW317.77 g/mol
LogP2.87
Rot. Bonds3

About 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide

4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide (PubChem CID 111860717) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
PubChem CID111860717
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C17H16ClNO3/c18-15-8-14(16(21)13-4-2-1-3-12(13)15)17(22)19-11-6-5-10(7-11)9-20/h1-6,8,10-11,20-21H,7,9H2,(H,19,22)/t10-,11+/m0/s1
InChIKeyRFERCZPNDRJESN-WDEREUQCSA-N
XLogP2.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzothiophene-2-carboxamide
CID 111661150
4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696825
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide
CID 111661127
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 111661488
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
CID 111661254
N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
1-(2-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-3-carboxamide
CID 111661281
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 111661790
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 110000319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide?
The IUPAC name of 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide (CID 111860717) is 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide?
The canonical SMILES for 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide?
The InChIKey is RFERCZPNDRJESN-WDEREUQCSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-15-8-14(16(21)13-4-2-1-3-12(13)15)17(22)19-11-6-5-10(7-11)9-20/h1-6,8,10-11,20-21H,7,9H2,(H,19,22)/t10-,11+/m0/s1.
What are the key properties of 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide?
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide has a molecular weight of 317.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 111860717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).