N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide

C23H22ClNO3 — CID 9183650

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22ClNO3/c1-25(15-19-14-20(24)9-11-22(19)28-2)23(27)12-10-21(26)18-8-7-16-5-3-4-6-17(16)13-18/h3-9,11,13-14H,10,12,15H2,1-2H3
InChIKeyXYARHXXODRLZGP-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.12
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 9183650) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID9183650
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22ClNO3/c1-25(15-19-14-20(24)9-11-22(19)28-2)23(27)12-10-21(26)18-8-7-16-5-3-4-6-17(16)13-18/h3-9,11,13-14H,10,12,15H2,1-2H3
InChIKeyXYARHXXODRLZGP-UHFFFAOYSA-N
XLogP5.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
CID 31282342
N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
CID 40686377
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide (CID 9183650) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is XYARHXXODRLZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-25(15-19-14-20(24)9-11-22(19)28-2)23(27)12-10-21(26)18-8-7-16-5-3-4-6-17(16)13-18/h3-9,11,13-14H,10,12,15H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 395.89 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 9183650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).