N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide

C27H24ClNO3 — CID 21209594

IUPACN-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3cccc(Cl)c3C)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H24ClNO3/c1-16-8-10-18(11-9-16)21-13-20(27(30)29-24-7-5-6-23(28)17(24)2)12-19-14-25(31-3)26(32-4)15-22(19)21/h5-15H,1-4H3,(H,29,30)
InChIKeyVFYPEHIVCWAJGI-UHFFFAOYSA-N
MW445.95 g/mol
LogP7.05
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide

N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide (PubChem CID 21209594) has the molecular formula C27H24ClNO3 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide
PubChem CID21209594
Molecular FormulaC27H24ClNO3
Molecular Weight445.95 g/mol
Exact Mass445.14
IUPAC NameN-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3cccc(Cl)c3C)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H24ClNO3/c1-16-8-10-18(11-9-16)21-13-20(27(30)29-24-7-5-6-23(28)17(24)2)12-19-14-25(31-3)26(32-4)15-22(19)21/h5-15H,1-4H3,(H,29,30)
InChIKeyVFYPEHIVCWAJGI-UHFFFAOYSA-N
XLogP7.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
CID 21209585
6,7-dimethoxy-N-(4-methoxyphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
CID 2257718
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 21209618
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide (CID 21209594) is N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide is COc1cc2cc(C(=O)Nc3cccc(Cl)c3C)cc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is VFYPEHIVCWAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO3/c1-16-8-10-18(11-9-16)21-13-20(27(30)29-24-7-5-6-23(28)17(24)2)12-19-14-25(31-3)26(32-4)15-22(19)21/h5-15H,1-4H3,(H,29,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide?
N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 21209594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).