N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide

C21H19Cl2NO2 — CID 127053277

IUPACN-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C21H19Cl2NO2/c1-13(2)24(12-14-7-10-18(22)19(23)11-14)21(26)17-9-8-15-5-3-4-6-16(15)20(17)25/h3-11,13,25H,12H2,1-2H3
InChIKeyMTYJMPCMGOSBIO-UHFFFAOYSA-N
MW388.29 g/mol
LogP5.90
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 127053277) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
PubChem CID127053277
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C21H19Cl2NO2/c1-13(2)24(12-14-7-10-18(22)19(23)11-14)21(26)17-9-8-15-5-3-4-6-16(15)20(17)25/h3-11,13,25H,12H2,1-2H3
InChIKeyMTYJMPCMGOSBIO-UHFFFAOYSA-N
XLogP5.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide (CID 127053277) is N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is MTYJMPCMGOSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c1-13(2)24(12-14-7-10-18(22)19(23)11-14)21(26)17-9-8-15-5-3-4-6-16(15)20(17)25/h3-11,13,25H,12H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 127053277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).