N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide

C25H20ClNO3 — CID 2278763

IUPACN-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C25H20ClNO3/c1-30-20-13-8-18(9-14-20)25(29)27-24(17-6-11-19(26)12-7-17)23-21-5-3-2-4-16(21)10-15-22(23)28/h2-15,24,28H,1H3,(H,27,29)/t24-/m0/s1
InChIKeyRWIZVIYUODONSA-DEOSSOPVSA-N
MW417.89 g/mol
LogP5.73
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide

N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide (PubChem CID 2278763) has the molecular formula C25H20ClNO3 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
PubChem CID2278763
Molecular FormulaC25H20ClNO3
Molecular Weight417.89 g/mol
Exact Mass417.11
IUPAC NameN-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C25H20ClNO3/c1-30-20-13-8-18(9-14-20)25(29)27-24(17-6-11-19(26)12-7-17)23-21-5-3-2-4-16(21)10-15-22(23)28/h2-15,24,28H,1H3,(H,27,29)/t24-/m0/s1
InChIKeyRWIZVIYUODONSA-DEOSSOPVSA-N
XLogP5.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.89
LogP ≤ 55.73
H-Bond Donors ≤ 52
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-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2281447
N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2897217
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(R)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methoxybenzamide
CID 1335808
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
1-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-(4-methoxyphenyl)methyl]naphthalen-2-ol
CID 71741177
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
CID 155933400

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide (CID 2278763) is N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide?
The InChIKey is RWIZVIYUODONSA-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H20ClNO3/c1-30-20-13-8-18(9-14-20)25(29)27-24(17-6-11-19(26)12-7-17)23-21-5-3-2-4-16(21)10-15-22(23)28/h2-15,24,28H,1H3,(H,27,29)/t24-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide?
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide has a molecular weight of 417.89 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 2278763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).