2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide

C22H20Cl2N2O3 — CID 55738713

IUPAC2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc2ccccc2c1CNC(=O)C(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H20Cl2N2O3/c1-13(26-22(28)16-8-5-9-18(23)20(16)24)21(27)25-12-17-15-7-4-3-6-14(15)10-11-19(17)29-2/h3-11,13H,12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLMUAQVTVVBSVFL-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.59
Rot. Bonds6

About 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55738713) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55738713
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc2ccccc2c1CNC(=O)C(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H20Cl2N2O3/c1-13(26-22(28)16-8-5-9-18(23)20(16)24)21(27)25-12-17-15-7-4-3-6-14(15)10-11-19(17)29-2/h3-11,13H,12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLMUAQVTVVBSVFL-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55745695
2-chloro-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55381424
2,3-dichloro-N-[1-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 56523907
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951
2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 25346113
2,3-dichloro-N-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739251
2,3-dichloro-N-[1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 55791886
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide (CID 55738713) is 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide is COc1ccc2ccccc2c1CNC(=O)C(C)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is LMUAQVTVVBSVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-13(26-22(28)16-8-5-9-18(23)20(16)24)21(27)25-12-17-15-7-4-3-6-14(15)10-11-19(17)29-2/h3-11,13H,12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 431.32 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55738713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).