N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide

C25H19Cl2NO3 — CID 2897217

IUPACN-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C25H19Cl2NO3/c1-31-18-7-4-6-16(13-18)25(30)28-24(20-11-10-17(26)14-21(20)27)23-19-8-3-2-5-15(19)9-12-22(23)29/h2-14,24,29H,1H3,(H,28,30)
InChIKeyIKVPYGIPLMRMQO-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.38
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide

N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide (PubChem CID 2897217) has the molecular formula C25H19Cl2NO3 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
PubChem CID2897217
Molecular FormulaC25H19Cl2NO3
Molecular Weight452.34 g/mol
Exact Mass451.07
IUPAC NameN-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C25H19Cl2NO3/c1-31-18-7-4-6-16(13-18)25(30)28-24(20-11-10-17(26)14-21(20)27)23-19-8-3-2-5-15(19)9-12-22(23)29/h2-14,24,29H,1H3,(H,28,30)
InChIKeyIKVPYGIPLMRMQO-UHFFFAOYSA-N
XLogP6.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.38
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-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2281447
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N-[(R)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methoxybenzamide
CID 1335808
ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102495715
N-[(S)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]pentanamide
CID 7432415
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
1-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-(4-methoxyphenyl)methyl]naphthalen-2-ol
CID 71741177
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 86292915

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide (CID 2897217) is N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide?
The InChIKey is IKVPYGIPLMRMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO3/c1-31-18-7-4-6-16(13-18)25(30)28-24(20-11-10-17(26)14-21(20)27)23-19-8-3-2-5-15(19)9-12-22(23)29/h2-14,24,29H,1H3,(H,28,30).
What are the key properties of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide?
N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide has a molecular weight of 452.34 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 2897217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).