N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide

C19H16ClNO2 — CID 767503

IUPACN-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16ClNO2/c1-12(22)21-19(14-6-9-15(20)10-7-14)18-16-5-3-2-4-13(16)8-11-17(18)23/h2-11,19,23H,1H3,(H,21,22)/t19-/m1/s1
InChIKeyBZGPUGFEIZUZQJ-LJQANCHMSA-N
MW325.80 g/mol
LogP4.42
Rot. Bonds3

About N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide

N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide (PubChem CID 767503) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
PubChem CID767503
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC NameN-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16ClNO2/c1-12(22)21-19(14-6-9-15(20)10-7-14)18-16-5-3-2-4-13(16)8-11-17(18)23/h2-11,19,23H,1H3,(H,21,22)/t19-/m1/s1
InChIKeyBZGPUGFEIZUZQJ-LJQANCHMSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
CID 801283
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N-[(S)-(2,7-dihydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 802179
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 156613239
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide (CID 767503) is N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide is CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is BZGPUGFEIZUZQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-12(22)21-19(14-6-9-15(20)10-7-14)18-16-5-3-2-4-13(16)8-11-17(18)23/h2-11,19,23H,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 325.80 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 767503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).