N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide

C19H16ClNO3 — CID 801283

IUPACN-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C19H16ClNO3/c1-11(22)21-19(13-2-6-14(20)7-3-13)18-16-10-15(23)8-4-12(16)5-9-17(18)24/h2-10,19,23-24H,1H3,(H,21,22)/t19-/m1/s1
InChIKeyNJFAWVRYGNIMCP-LJQANCHMSA-N
MW341.79 g/mol
LogP4.13
Rot. Bonds3

About N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide

N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide (PubChem CID 801283) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
PubChem CID801283
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C19H16ClNO3/c1-11(22)21-19(13-2-6-14(20)7-3-13)18-16-10-15(23)8-4-12(16)5-9-17(18)24/h2-10,19,23-24H,1H3,(H,21,22)/t19-/m1/s1
InChIKeyNJFAWVRYGNIMCP-LJQANCHMSA-N
XLogP4.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(2,7-dihydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 802179
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 156613239
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102495715
methyl 2-[[(4-chlorophenyl)-(4-hydroxyphenyl)methyl]amino]acetate
CID 43095649

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide (CID 801283) is N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide is CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc12.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is NJFAWVRYGNIMCP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11(22)21-19(13-2-6-14(20)7-3-13)18-16-10-15(23)8-4-12(16)5-9-17(18)24/h2-10,19,23-24H,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide?
N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 341.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 801283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).